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Benzo[b]thiophene-3-acetic acid, 2-acetyl-
SpectraBase Compound ID 6CqmY71izWr
InChI InChI=1S/C12H10O3S/c1-7(13)12-9(6-11(14)15)8-4-2-3-5-10(8)16-12/h2-5H,6H2,1H3,(H,14,15)
InChIKey XAMVWIMRUSIGAL-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C12H10O3S
Exact Mass 234.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXik5aduLxV
Name Benzo[b]thiophene-3-acetic acid, 2-acetyl-
Alternate Name(s) (2-acetyl-1-benzothien-3-yl)acetic acid 2-Acetylbenzo[b]thiophen-3-ylacetic acid
CAS Registry Number 128405-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O3S
InChI InChI=1S/C12H10O3S/c1-7(13)12-9(6-11(14)15)8-4-2-3-5-10(8)16-12/h2-5H,6H2,1H3,(H,14,15)
InChIKey XAMVWIMRUSIGAL-UHFFFAOYSA-N
Molecular Weight 234.269 g/mol
SMILES OC(Cc1c(sc2c1cccc2)C(=O)C)=O
SPLASH splash10-002f-2910000000-31ea77185f5b33e4ca4e
Source of Spectrum KC-1990-684-11
Wiley ID 1235689