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5-Benzofuranacetic acid, 2-ethyl-
SpectraBase Compound ID HNresC1Zgzr
InChI InChI=1S/C12H12O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKey VHUAMICKKJQLPX-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qVOE5twxqd
Name 5-Benzofuranacetic acid, 2-ethyl-
CAS Registry Number 72579-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKey VHUAMICKKJQLPX-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES OC(Cc1ccc2c(c1)cc(o2)CC)=O
SPLASH splash10-0pbi-0920000000-705be5458b1264135130
Source of Spectrum KO-7-237-1
Synonyms (2-ethyl-1-benzofuran-5-yl)acetic acid 2-Ethyl-5-benzofuranylacetic acid Metabolite I of Furofenac 2-(2-Ethyl-5-benzofuranyl)acetic acid 2-(2-Ethyl-1-benzofuran-5-yl)acetic acid 2-(2-Ethyl-1-benzofuran-5-yl)ethanoic acid
Wiley ID 1201799