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5-Benzofuranacetic acid, 2-ethyl-2,3-dihydro-, methyl ester
SpectraBase Compound ID LxT8q1mUrNG
InChI InChI=1S/C13H16O3/c1-3-11-8-10-6-9(7-13(14)15-2)4-5-12(10)16-11/h4-6,11H,3,7-8H2,1-2H3
InChIKey JSWKQLSKOUGKMB-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80VKMb2JBCd
Name 5-Benzofuranacetic acid, 2-ethyl-2,3-dihydro-, methyl ester
CAS Registry Number 76733-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-3-11-8-10-6-9(7-13(14)15-2)4-5-12(10)16-11/h4-6,11H,3,7-8H2,1-2H3
InChIKey JSWKQLSKOUGKMB-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES c12OC(Cc2cc(cc1)CC(=O)OC)CC
SPLASH splash10-03di-4910000000-ba2054ea5ca81ac57e53
Source of Spectrum KO-7-237-1
Synonyms Metabolite A of Furofenac Methyl (2-ethyl-2,3-dihydro-1-benzofuran-5-yl)acetate
Wiley ID 1219873