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3-Methylbenzofuran-2-carboxylic acid

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, 5 UV-Vis, and 2 MS (GC)

3-Methylbenzofuran-2-carboxylic acid
SpectraBase Compound ID 4XmkB0tE0Kl
InChI InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey YMZTUCZCQMQFMK-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C10H8O3
Exact Mass 176.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x1l1lPaLnJ
Name 2-Benzofurancarboxylic acid, 3-methyl-
Alternate Name(s) 3-Methyl-1-benzofuran-2-carboxylic acid 3-Methyl-2-benzofurancarboxylic acid 3-Methylbenzofuran-2-carboxylic acid 3-Methylcoumarilic acid
CAS Registry Number 24673-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O3
InChI InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey YMZTUCZCQMQFMK-UHFFFAOYSA-N
Molecular Weight 176.171 g/mol
SMILES OC(c1c(c2ccccc2o1)C)=O
SPLASH splash10-0059-4900000000-c6b5636de44f361b15c9
Wiley ID 1489122