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2,4,5-Trimethoxybenzoic acid

View entire compound with spectra: 4 NMR, 4 FTIR, 2 Raman, and 5 MS (GC)

2,4,5-Trimethoxybenzoic acid
SpectraBase Compound ID 2FjzmKTpcVD
InChI InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKey KVZUCOGWKYOPID-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1x8iTGi8G
Name Benzoic acid, 2,4,5-trimethoxy-
Alternate Name(s) 2,4,5-Trimethoxybenzoic acid Asaronic acid AI3-38428 EINECS 207-715-9
CAS Registry Number 490-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O5
InChI InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKey KVZUCOGWKYOPID-UHFFFAOYSA-N
Molecular Weight 212.201 g/mol
SMILES OC(=O)c1c(cc(c(c1)OC)OC)OC
SPLASH splash10-03dj-2930000000-f625e1e9d6ec0766fbc2
Wiley ID 1508525