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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CygMevH5d3D
Name VANILLIC-ACID
Compound Number 13
Copyright Copyright © 2016-2024 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 X.XU,X.GAO,L.JIN,P.S.BHADURY,K.YUAN,D.HU,B.SONG,S.YANG
Literature Reference Citation CELL.DIV.,6,1(2011)
Literature Reference DOI 10.1186/1747-1028-6-14
Molecular Weight 168.149 g/mol
Solvent ACETONE-D6
Source File Reference UWBT16699