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Isovanillic acid

View entire compound with spectra: 11 NMR, 4 FTIR, and 8 MS (GC)

Isovanillic acid
SpectraBase Compound ID Bb1V2dubIuj
InChI InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey LBKFGYZQBSGRHY-UHFFFAOYSA-N
Mol Weight 168.15 g/mol
Molecular Formula C8H8O4
Exact Mass 168.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzM94l0iJd2
Name Isovanillic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O4
InChI InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey LBKFGYZQBSGRHY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.199900010
Molecular Weight 168.148 g/mol
SMILES Oc1cc(C(=O)O)ccc1OC
SPLASH splash10-0gb9-6900000000-832b08fc0665b205b44c
Source of Spectrum QA-46-82-8
Synonyms 3-Hydroxy-4-methoxybenzoic acid
Wiley ID 1795084