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Isovanillic acid

View entire compound with spectra: 11 NMR, 4 FTIR, 1 Raman, 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1feOXGJWlUE
Name 3-HYDROXY-4-METHOXYBENZOIC-ACID
Compound Number 7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 Author H.Y.DING,H.C.LIN,C.M.TENG,Y.C.WU
Literature Reference Citation J.CHIN.CHEM.SOC.,47,381(2000)
Literature Reference DOI 10.1002/jccs.200000051
Molecular Weight 168.149 g/mol
Solvent CD3OD
Source File Reference UWMS3264