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5-Benzofuranacetic acid, 2-ethyl-2,3-dihydro-3-hydroxy-
SpectraBase Compound ID KYBE1DkEtiG
InChI InChI=1S/C12H14O4/c1-2-9-12(15)8-5-7(6-11(13)14)3-4-10(8)16-9/h3-5,9,12,15H,2,6H2,1H3,(H,13,14)
InChIKey MZMKJJXBJXVVQP-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 HijpdsjEyRD
Name 5-Benzofuranacetic acid, 2-ethyl-2,3-dihydro-3-hydroxy-
Alternate Name(s) (2-ethyl-3-hydroxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid 2-Ethyl-3-hydroxy-2,3-dihydro-5-benzofuranylacetic acid Metabolite B of Furofenac
CAS Registry Number 72579-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-9-12(15)8-5-7(6-11(13)14)3-4-10(8)16-9/h3-5,9,12,15H,2,6H2,1H3,(H,13,14)
InChIKey MZMKJJXBJXVVQP-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC1C(Oc2c1cc(CC(=O)O)cc2)CC
SPLASH splash10-001i-1900000000-f8f6e1fe876c57a34864
Source of Spectrum KO-7-237-1
Wiley ID 1222229