For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Vanillin

View entire compound with spectra: 121 NMR, 16 FTIR, 3 Raman, 3 UV-Vis, and 52 MS (GC)

Vanillin
SpectraBase Compound ID KjKDuI1Oo9C
InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey MWOOGOJBHIARFG-UHFFFAOYSA-N
Mol Weight 152.15 g/mol
Molecular Formula C8H8O3
Exact Mass 152.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AzjN1dMeLNQ
Name Vanillin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O3
InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey MWOOGOJBHIARFG-UHFFFAOYSA-N
Instrument Name Agilent 7820-5977
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202002240
Molecular Weight 152.149 g/mol
SMILES Oc1ccc(cc1OC)C=O
SPLASH splash10-0udi-4900000000-953e4116172783e8f379
Source of Spectrum CSC-13-SM20-Fig. S2 right
Wiley ID 1856246