Spectrometric Identification of Organic Compounds

Vibrational modes of molecules described in Section 2.5 of Spectrometric Identification of Organic Compounds (Robert M. Silverstein, et al.) 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
7		Dodecane MF: C12H26 MW: 170.33 g/mol IUPAC Name: dodecane
8		2,2,4-Trimethylpentane MF: C8H18 MW: 114.23 g/mol IUPAC Name: 2,2,4-trimethylpentane
9		1-Dodecene MF: C12H24 MW: 168.32 g/mol IUPAC Name: dodec-1-ene
10		Isoprene MF: C5H8 MW: 68.12 g/mol IUPAC Name: 2-methylbuta-1,3-diene
11		1-Heptyne MF: C7H12 MW: 96.17 g/mol IUPAC Name: hept-1-yne
12		o-Xylene MF: C8H10 MW: 106.16 g/mol IUPAC Name: 1,2-xylene
20		Benzyl alcohol MF: C7H8O MW: 108.14 g/mol IUPAC Name: phenylmethanol
21		Phenol MF: C6H6O MW: 94.11 g/mol IUPAC Name: phenol
22		2-Methyl-1-butanol MF: C5H12O MW: 88.15 g/mol IUPAC Name: 2-methylbutan-1-ol
23		Anisole MF: C7H8O MW: 108.14 g/mol IUPAC Name: anisole
25		Acetophenone MF: C8H8O MW: 120.15 g/mol IUPAC Name: 1-phenylethanone
26		1-Octanol MF: C8H18O MW: 130.23 g/mol IUPAC Name: octan-1-ol
27		Hexanoic acid MF: C6H12O2 MW: 116.16 g/mol IUPAC Name: hexanoic acid
29		Phenyl acetate MF: C8H8O2 MW: 136.15 g/mol IUPAC Name: phenyl acetate
30		4-Hexylbenzoyl chloride MF: C13H17ClO MW: 224.72 g/mol IUPAC Name: 4-hexylbenzoyl chloride
31		Benzoic anhydride MF: C14H10O3 MW: 226.23 g/mol IUPAC Name: benzoyl benzoate
32		Acrylamide MF: C3H5NO MW: 71.08 g/mol IUPAC Name: prop-2-enamide
33		2-Methyl-1,5-pentanediamine MF: C6H16N2 MW: 116.2 g/mol IUPAC Name: 2-methylpentane-1,5-diamine
35		α-Methylbenzyl cyanide MF: C9H9N MW: 131.17 g/mol IUPAC Name: 2-phenylpropanenitrile
36		Nitrobenzene MF: C6H5NO2 MW: 123.11 g/mol IUPAC Name: nitrobenzene
37		1,6-Hexanedithiol MF: C6H14S2 MW: 150.3 g/mol IUPAC Name: hexane-1,6-dithiol
40		Pyridine MF: C5H5N MW: 79.1 g/mol IUPAC Name: pyridine