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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)

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SpectraBase Spectrum ID 8bLykCpPv7O
Name Vanillin
Source of Sample SAFC Cat. #W310700
CAS Registry Number 121-33-5
Classification Pesticides: Intermediers
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 152.047344115 u
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
Molecular Weight 152.149 g/mol
Number of Peaks 50
RI1 1394
SMILES Oc1c(cc(C=O)cc1)OC
SPLASH splash10-0udi-6900000000-dbeebd01b15fa770bca2
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzaldehyde, 4-hydroxy-3-methoxy-
Wiley ID LM_PEST_1196