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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 GYivsyDs7oe
Name 3-Hydroxy-4-methoxybenzoic acid
CAS Registry Number 645-08-9
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 168.042258734 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 168.148 g/mol
Nominal Mass 168 u
Quality 910
Retention Index 1208
SMILES OC1=CC(C(=O)O)=CC=C1OC
SPLASH splash10-0uxr-5900000000-ac1ffdae69e44955eeff
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Isovanillic acid
Technique GC/MS
Wiley ID DD2024_013330