Vibrational modes of molecules described in chapter 8 and chapter 9 of Infrared and Raman Spectroscopy (Peter J. Larkin) have been calculated. This is helpful to deeply understand of the assigned vibrational modes. You can also interpret vibrational modes that are not assigned in the book.
# | Structure | Parameters | Spectrum |
---|---|---|---|
1 | ![]() ![]() ![]() | HeptaneMF: C7H16MW: 100.2 g/mol IUPAC Name: heptane | ![]() ![]() ![]() ![]() |
2 | ![]() ![]() ![]() | CyclohexaneMF: C6H12MW: 84.16 g/mol IUPAC Name: cyclohexane | ![]() ![]() ![]() ![]() |
3 | ![]() ![]() ![]() | IsooctaneMF: C8H18MW: 114.23 g/mol IUPAC Name: 2,2,4-trimethylpentane | ![]() ![]() ![]() ![]() |
4 | ![]() ![]() ![]() | 1,4-DioxaneMF: C4H8O2MW: 88.11 g/mol IUPAC Name: 1,4-dioxane | ![]() ![]() ![]() ![]() |
5 | ![]() ![]() ![]() | PiperazineMF: C4H10N2MW: 86.14 g/mol IUPAC Name: piperazine | ![]() ![]() ![]() ![]() |
6 | ![]() ![]() ![]() | 1,4-DimethylpiperazineMF: C4H9NOMW: 87.12 g/mol IUPAC Name: morpholine | ![]() ![]() ![]() ![]() |
7 | ![]() ![]() ![]() | 1-HexeneMF: C6H12MW: 84.16 g/mol IUPAC Name: hex-1-ene | ![]() ![]() ![]() ![]() |
10 | ![]() ![]() ![]() | AcetonitrileMF: C2H3NMW: 41.05 g/mol IUPAC Name: acetonitrile | ![]() ![]() ![]() ![]() |
11 | ![]() ![]() ![]() | AcrylonitrileMF: C3H3NMW: 53.06 g/mol IUPAC Name: prop-2-enenitrile | ![]() ![]() ![]() ![]() |
12 | ![]() ![]() ![]() | 1-OctyneMF: C8H14MW: 110.2 g/mol IUPAC Name: oct-1-yne | ![]() ![]() ![]() ![]() |
14 | ![]() ![]() ![]() | o-XyleneMF: C8H10MW: 106.16 g/mol IUPAC Name: 1,2-xylene | ![]() ![]() ![]() ![]() |
17 | ![]() ![]() ![]() | 1,2,3-TrimethylbenzeneMF: C9H12MW: 120.19 g/mol IUPAC Name: 1,2,3-trimethylbenzene | ![]() ![]() ![]() ![]() |
21 | ![]() ![]() ![]() | m-Tetramethyl xylene diisocyanateMF: C14H16N2O2MW: 244.29 g/mol IUPAC Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene | ![]() ![]() ![]() ![]() |
22 | ![]() ![]() ![]() | PyridineMF: C5H5NMW: 79.1 g/mol IUPAC Name: pyridine | ![]() ![]() ![]() ![]() |
24 | ![]() ![]() ![]() | MelamineMF: C3H6N6MW: 126.12 g/mol IUPAC Name: 1,3,5-triazine-2,4,6-triamine | ![]() ![]() ![]() ![]() |
25 | ![]() ![]() ![]() | PyrroleMF: C4H5NMW: 67.09 g/mol IUPAC Name: 1H-pyrrole | ![]() ![]() ![]() ![]() |
26 | ![]() ![]() ![]() | FuranMF: C4H4OMW: 68.07 g/mol IUPAC Name: furan | ![]() ![]() ![]() ![]() |
27 | ![]() ![]() ![]() | ThiopheneMF: C4H4SMW: 84.14 g/mol IUPAC Name: thiophene | ![]() ![]() ![]() ![]() |
28 | ![]() ![]() ![]() | ImidazoleMF: C3H4N2MW: 68.08 g/mol IUPAC Name: 1H-imidazole | ![]() ![]() ![]() ![]() |
30 | ![]() ![]() ![]() | OxazoleMF: C3H3NOMW: 69.06 g/mol IUPAC Name: 1,3-oxazole | ![]() ![]() ![]() ![]() |
31 | ![]() ![]() ![]() | IndoleMF: C8H7NMW: 117.15 g/mol IUPAC Name: 1H-indole | ![]() ![]() ![]() ![]() |
32 | ![]() ![]() ![]() | BenzoxazoleMF: C7H5NOMW: 119.12 g/mol IUPAC Name: 1,3-benzoxazole | ![]() ![]() ![]() ![]() |
33 | ![]() ![]() ![]() | BenzothiazoleMF: C7H5NSMW: 135.19 g/mol IUPAC Name: 1,3-benzothiazole | ![]() ![]() ![]() ![]() |
35 | ![]() ![]() ![]() | n-Butyl acetateMF: C6H12O2MW: 116.16 g/mol IUPAC Name: butyl acetate | ![]() ![]() ![]() ![]() |
36 | ![]() ![]() ![]() | Dimethyl carbonateMF: C3H6O3MW: 90.08 g/mol IUPAC Name: dimethyl carbonate | ![]() ![]() ![]() ![]() |
37 | ![]() ![]() ![]() | Dimethyl malonateMF: C5H8O4MW: 132.11 g/mol IUPAC Name: dimethyl propanedioate | ![]() ![]() ![]() ![]() |
38 | ![]() ![]() ![]() | Dimethyl terephthalateMF: C10H10O4MW: 194.18 g/mol IUPAC Name: dimethyl benzene-1,4-dicarboxylate | ![]() ![]() ![]() ![]() |
39 | ![]() ![]() ![]() | Pentanoic anhydrideMF: C10H18O3MW: 186.25 g/mol IUPAC Name: pentanoyl pentanoate | ![]() ![]() ![]() ![]() |
40 | ![]() ![]() ![]() | Maleic anhydrideMF: C4H2O3MW: 98.06 g/mol IUPAC Name: furan-2,5-dione | ![]() ![]() ![]() ![]() |
42 | ![]() ![]() ![]() | 4-HydroxybenzaldehydeMF: C7H6O2MW: 122.12 g/mol IUPAC Name: 4-hydroxybenzaldehyde | ![]() ![]() ![]() ![]() |
46 | ![]() ![]() ![]() | Benzoic acidMF: C7H6O2MW: 122.12 g/mol IUPAC Name: benzoic acid | ![]() ![]() ![]() ![]() |
52 | ![]() ![]() ![]() | AcrylamideMF: C3H5NOMW: 71.08 g/mol IUPAC Name: prop-2-enamide | ![]() ![]() ![]() ![]() |
54 | ![]() ![]() ![]() | 1,3-Dimethyl ureaMF: C3H8N2OMW: 88.11 g/mol IUPAC Name: 1,3-dimethylurea | ![]() ![]() ![]() ![]() |
56 | ![]() ![]() ![]() | 2-ImidazolidoneMF: C3H6N2OMW: 86.09 g/mol IUPAC Name: imidazolidin-2-one | ![]() ![]() ![]() ![]() |
57 | ![]() ![]() ![]() | N,N-Dimethyl formamideMF: C3H7NOMW: 73.09 g/mol IUPAC Name: N,N-dimethylformamide | ![]() ![]() ![]() ![]() |
61 | ![]() ![]() ![]() | SuccinimideMF: C4H5NO2MW: 99.09 g/mol IUPAC Name: pyrrolidine-2,5-dione | ![]() ![]() ![]() ![]() |
62 | ![]() ![]() ![]() | N-Methyl succinimideMF: C5H7NO2MW: 113.11 g/mol IUPAC Name: 1-methylpyrrolidine-2,5-dione | ![]() ![]() ![]() ![]() |
68 | ![]() ![]() ![]() | Isopropyl ethyl thionocarbamateMF: C6H13NOSMW: 147.24 g/mol IUPAC Name: O-propan-2-yl N-ethylcarbamothioate | ![]() ![]() ![]() ![]() |
71 | ![]() ![]() ![]() | Cyclohexanone oximeMF: C6H11NOMW: 113.16 g/mol IUPAC Name: N-cyclohexylidenehydroxylamine | ![]() ![]() ![]() ![]() |
73 | ![]() ![]() ![]() | AcetamidoximeMF: C2H6N2OMW: 74.08 g/mol IUPAC Name: N'-hydroxyethanimidamide | ![]() ![]() ![]() ![]() |
76 | ![]() ![]() ![]() | MethanolMF: CH4OMW: 32.042 g/mol IUPAC Name: methanol | ![]() ![]() ![]() ![]() |
77 | ![]() ![]() ![]() | Isopropyl alcoholMF: C3H8OMW: 60.1 g/mol IUPAC Name: propan-2-ol | ![]() ![]() ![]() ![]() |
78 | ![]() ![]() ![]() | T-Butyl alcoholMF: C4H10OMW: 74.12 g/mol IUPAC Name: 2-methylpropan-2-ol | ![]() ![]() ![]() ![]() |
79 | ![]() ![]() ![]() | 1-ButanolMF: C4H10OMW: 74.12 g/mol IUPAC Name: butan-1-ol | ![]() ![]() ![]() ![]() |
81 | ![]() ![]() ![]() | PhenolMF: C6H6OMW: 94.11 g/mol IUPAC Name: phenol | ![]() ![]() ![]() ![]() |
82 | ![]() ![]() ![]() | 2,6-Di-tert-butylphenolMF: C14H22OMW: 206.32 g/mol IUPAC Name: 2,6-ditert-butylphenol | ![]() ![]() ![]() ![]() |
83 | ![]() ![]() ![]() | Diethylene glycolMF: C4H10O3MW: 106.12 g/mol IUPAC Name: 2-(2-hydroxyethoxy)ethanol | ![]() ![]() ![]() ![]() |
84 | ![]() ![]() ![]() | n-Dibutyl etherMF: C8H18OMW: 130.23 g/mol IUPAC Name: 1-butoxybutane | ![]() ![]() ![]() ![]() |
85 | ![]() ![]() ![]() | TetrahydrofuranMF: C4H8OMW: 72.11 g/mol IUPAC Name: oxolane | ![]() ![]() ![]() ![]() |
86 | ![]() ![]() ![]() | EpichlorohydrinMF: C3H5ClOMW: 92.52 g/mol IUPAC Name: 2-(chloromethyl)oxirane | ![]() ![]() ![]() ![]() |
88 | ![]() ![]() ![]() | IsobutylamineMF: C4H11NMW: 73.14 g/mol IUPAC Name: 2-methylpropan-1-amine | ![]() ![]() ![]() ![]() |
95 | ![]() ![]() ![]() | AnilineMF: C6H7NMW: 93.13 g/mol IUPAC Name: aniline | ![]() ![]() ![]() ![]() |
96 | ![]() ![]() ![]() | Isoamyl nitriteMF: C5H11NO2MW: 117.15 g/mol IUPAC Name: 3-methylbutyl nitrite | ![]() ![]() ![]() ![]() |
97 | ![]() ![]() ![]() | 2-NitropropaneMF: C3H7NO2MW: 89.09 g/mol IUPAC Name: 2-nitropropane | ![]() ![]() ![]() ![]() |
98 | ![]() ![]() ![]() | Isopropyl nitrateMF: C3H7NO3MW: 105.09 g/mol IUPAC Name: propan-2-yl nitrate | ![]() ![]() ![]() ![]() |
99 | ![]() ![]() ![]() | Azo-Tert-ButaneMF: C8H18N2MW: 142.24 g/mol IUPAC Name: ditert-butyldiazene | ![]() ![]() ![]() ![]() |
100 | ![]() ![]() ![]() | AzobenzeneMF: C12H10N2MW: 182.22 g/mol IUPAC Name: diphenyldiazene | ![]() ![]() ![]() ![]() |
102 | ![]() ![]() ![]() | Carbon tetrachlorideMF: CCl4MW: 153.8 g/mol IUPAC Name: tetrachloromethane | ![]() ![]() ![]() ![]() |
103 | ![]() ![]() ![]() | Methylene chlorideMF: CH2Cl2MW: 84.93 g/mol IUPAC Name: dichloromethane | ![]() ![]() ![]() ![]() |
109 | ![]() ![]() ![]() | Dimethyl sulfoxideMF: C2H6OSMW: 78.14 g/mol IUPAC Name: methylsulfinylmethane | ![]() ![]() ![]() ![]() |
115 | ![]() ![]() ![]() | TriphenylphosphineMF: C18H15PMW: 262.3 g/mol IUPAC Name: triphenylphosphane | ![]() ![]() ![]() ![]() |
140 | ![]() ![]() ![]() | PolybutadieneMF: C10H18MW: 138.25 g/mol IUPAC Name: deca-3,7-diene | ![]() ![]() ![]() ![]() |
141 | ![]() ![]() ![]() | PolystyreneMF: C17H20MW: 224.34 g/mol IUPAC Name: 4-phenylpentan-2-ylbenzene | ![]() ![]() ![]() ![]() |
145 | ![]() ![]() ![]() | Polyvinyl pyrrolidoneMF: C8H15NOMW: 141.21 g/mol IUPAC Name: 1-butan-2-ylpyrrolidin-2-one | ![]() ![]() ![]() ![]() |
146 | ![]() ![]() ![]() | Nylon 6,6MF: C8H16N2O2MW: 172.22 g/mol IUPAC Name: N,N'-dimethylhexanediamide | ![]() ![]() ![]() ![]() |
148 | ![]() ![]() ![]() | Siloxane polymerMF: C6H18O2Si2MW: 178.38 g/mol IUPAC Name: methoxy-dimethyl-trimethylsilyloxysilane | ![]() ![]() ![]() ![]() |
# | Structure | Parameters | Spectrum |
---|---|---|---|
1 | ![]() ![]() ![]() | CyclohexaneMF: C6H12MW: 84.16 g/mol IUPAC Name: cyclohexane | ![]() ![]() ![]() ![]() |
2 | ![]() ![]() ![]() | 2,4-dimethyl pentaneMF: C7H16MW: 100.2 g/mol IUPAC Name: 2,4-dimethylpentane | ![]() ![]() ![]() ![]() |
3 | ![]() ![]() ![]() | 2,5-dimethyl-1,5-hexadieneMF: C8H14MW: 110.2 g/mol IUPAC Name: 2,5-dimethylhexa-1,5-diene | ![]() ![]() ![]() ![]() |
4 | ![]() ![]() ![]() | 4-tert-butyltolueneMF: C11H16MW: 148.24 g/mol IUPAC Name: 1-tert-butyl-4-methylbenzene | ![]() ![]() ![]() ![]() |
5 | ![]() ![]() ![]() | 1-methyl naphthaleneMF: C11H10MW: 142.2 g/mol IUPAC Name: 1-methylnaphthalene | ![]() ![]() ![]() ![]() |
6 | ![]() ![]() ![]() | n-ButyronitrileMF: C4H7NMW: 69.11 g/mol IUPAC Name: butanenitrile | ![]() ![]() ![]() ![]() |
8 | ![]() ![]() ![]() | n-ButanolMF: C4H10OMW: 74.12 g/mol IUPAC Name: butan-1-ol | ![]() ![]() ![]() ![]() |
10 | ![]() ![]() ![]() | Benzyl alcoholMF: C7H8OMW: 108.14 g/mol IUPAC Name: phenylmethanol | ![]() ![]() ![]() ![]() |
11 | ![]() ![]() ![]() | Silicon dioxideMF: O2SiMW: 60.084 g/mol IUPAC Name: dioxosilane | ![]() ![]() ![]() ![]() |
13 | ![]() ![]() ![]() | TetrahydrofuranMF: C4H8OMW: 72.11 g/mol IUPAC Name: oxolane | ![]() ![]() ![]() ![]() |
14 | ![]() ![]() ![]() | 1,4-DioxaneMF: C4H8O2MW: 88.11 g/mol IUPAC Name: 1,4-dioxane | ![]() ![]() ![]() ![]() |
15 | ![]() ![]() ![]() | AnisoleMF: C7H8OMW: 108.14 g/mol IUPAC Name: anisole | ![]() ![]() ![]() ![]() |
19 | ![]() ![]() ![]() | Meta (3) chlorophenolMF: C6H5ClOMW: 128.55 g/mol IUPAC Name: 3-chlorophenol | ![]() ![]() ![]() ![]() |
21 | ![]() ![]() ![]() | 2-HexanoneMF: C6H12OMW: 100.16 g/mol IUPAC Name: hexan-2-one | ![]() ![]() ![]() ![]() |
23 | ![]() ![]() ![]() | Ethyl methyl sulfideMF: C3H8SMW: 76.16 g/mol IUPAC Name: methylsulfanylethane | ![]() ![]() ![]() ![]() |
24 | ![]() ![]() ![]() | 2-PropanethiolMF: C3H8SMW: 76.16 g/mol IUPAC Name: propane-2-thiol | ![]() ![]() ![]() ![]() |
27 | ![]() ![]() ![]() | Phenyl acetateMF: C8H8O2MW: 136.15 g/mol IUPAC Name: phenyl acetate | ![]() ![]() ![]() ![]() |
31 | ![]() ![]() ![]() | 3-Amino pentaneMF: C5H13NMW: 87.16 g/mol IUPAC Name: pentan-3-amine | ![]() ![]() ![]() ![]() |
32 | ![]() ![]() ![]() | α-D-GlucoseMF: C6H12O6MW: 180.16 g/mol IUPAC Name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | ![]() ![]() ![]() ![]() |
33 | ![]() ![]() ![]() | Butylated hydroxy tolueneMF: C15H24OMW: 220.35 g/mol IUPAC Name: 2,6-ditert-butyl-4-methylphenol | ![]() ![]() ![]() ![]() |
34 | ![]() ![]() ![]() | PolystyreneMF: C17H20MW: 224.34 g/mol IUPAC Name: 4-phenylpentan-2-ylbenzene | ![]() ![]() ![]() ![]() |
35 | ![]() ![]() ![]() | Di-n-butyl amineMF: C8H19NMW: 129.24 g/mol IUPAC Name: N-butylbutan-1-amine | ![]() ![]() ![]() ![]() |
37 | ![]() ![]() ![]() | n-Ethyl acetamideMF: C4H9NOMW: 87.12 g/mol IUPAC Name: N-ethylacetamide | ![]() ![]() ![]() ![]() |
38 | ![]() ![]() ![]() | Triphenyl phosphine oxideMF: C18H15OPMW: 278.3 g/mol IUPAC Name: diphenylphosphorylbenzene | ![]() ![]() ![]() ![]() |
40 | ![]() ![]() ![]() | Tributyl borateMF: C12H27BO3MW: 230.15 g/mol IUPAC Name: tributyl borate | ![]() ![]() ![]() ![]() |
43 | ![]() ![]() ![]() | 4-Methyl-imidazoleMF: C4H6N2MW: 82.1 g/mol IUPAC Name: 5-methyl-1H-imidazole | ![]() ![]() ![]() ![]() |
44 | ![]() ![]() ![]() | MelamineMF: C3H6N6MW: 126.12 g/mol IUPAC Name: 1,3,5-triazine-2,4,6-triamine | ![]() ![]() ![]() ![]() |