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5-Benzofuranacetic acid, 2,3-dihydro-2-(1-hydroxyethyl)-
SpectraBase Compound ID 4iLOAtWh3jT
InChI InChI=1S/C12H14O4/c1-7(13)11-6-9-4-8(5-12(14)15)2-3-10(9)16-11/h2-4,7,11,13H,5-6H2,1H3,(H,14,15)
InChIKey IQORUOAOBOCBHQ-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpbpSPam2E5
Name 5-Benzofuranacetic acid, 2,3-dihydro-2-(1-hydroxyethyl)-
Alternate Name(s) 2-(1-Hydroxyethyl)-2,3-dihydro-5-benzofuranylacetic acid Metabolite D of Furofenac [2-(1-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid
CAS Registry Number 72579-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7(13)11-6-9-4-8(5-12(14)15)2-3-10(9)16-11/h2-4,7,11,13H,5-6H2,1H3,(H,14,15)
InChIKey IQORUOAOBOCBHQ-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(Cc1cc2c(OC(C(O)C)C2)cc1)=O
SPLASH splash10-006w-0920000000-2b856b87e9f0c15c6f6c
Source of Spectrum KO-7-237-1
Wiley ID 1222230