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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 82WKp0h4Hq6
Name 3-Hydroxy-4-methoxy-benzoic acid
CAS Registry Number 645-08-9
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
Molecular Weight 168.148 g/mol
SMILES Oc1cc(C(=O)O)ccc1OC
SPLASH splash10-0gb9-6900000000-875c9310079ec8f436c0
Source of Spectrum QA-46-82-8
Synonyms 3-Hydroxy-4-methoxybenzoic acid 3-Hydroxyanisic acid 4-Methoxy-3-oxidanyl-benzoic acid Acide isovanillique Benzoic acid, 3-hydroxy-4-methoxy- Isovanillic acid p-Anisic acid, 3-hydroxy-
Wiley ID 863058