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2-Benzofuranacetic acid, 4-acetyl-5-hydroxy-
SpectraBase Compound ID AwVBe60DSbt
InChI InChI=1S/C12H10O5/c1-6(13)12-8-4-7(5-11(15)16)17-10(8)3-2-9(12)14/h2-4,14H,5H2,1H3,(H,15,16)
InChIKey TZALHHSJIBGUQY-UHFFFAOYSA-N
Mol Weight 234.21 g/mol
Molecular Formula C12H10O5
Exact Mass 234.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUcJMIVH0aH
Name 2-Benzofuranacetic acid, 4-acetyl-5-hydroxy-
CAS Registry Number 121816-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O5
InChI InChI=1S/C12H10O5/c1-6(13)12-8-4-7(5-11(15)16)17-10(8)3-2-9(12)14/h2-4,14H,5H2,1H3,(H,15,16)
InChIKey TZALHHSJIBGUQY-UHFFFAOYSA-N
Molecular Weight 234.207 g/mol
SMILES Oc1c(c2cc(CC(=O)O)oc2cc1)C(=O)C
SPLASH splash10-0159-0190000000-9ae02fe3740be92f029e
Source of Spectrum KC-1989-183-9
Synonyms (4-acetyl-5-hydroxy-1-benzofuran-2-yl)acetic acid (4-acetyl-5-hydroxybenzofuran-2-yl)acetic acid
Wiley ID 1235712