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2-(2-formyl-1-benzothiophen-3-yl)acetic acid
SpectraBase Compound ID EZ9DUZaZ56q
InChI InChI=1S/C11H8O3S/c12-6-10-8(5-11(13)14)7-3-1-2-4-9(7)15-10/h1-4,6H,5H2,(H,13,14)
InChIKey BYEOGOZJXFWDDP-UHFFFAOYSA-N
Mol Weight 220.24 g/mol
Molecular Formula C11H8O3S
Exact Mass 220.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GZgQCc79if
Name 2-(2-formyl-1-benzothiophen-3-yl)acetic acid
CAS Registry Number 128405-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O3S
InChI InChI=1S/C11H8O3S/c12-6-10-8(5-11(13)14)7-3-1-2-4-9(7)15-10/h1-4,6H,5H2,(H,13,14)
InChIKey BYEOGOZJXFWDDP-UHFFFAOYSA-N
Molecular Weight 220.242 g/mol
SMILES OC(Cc1c(sc2c1cccc2)C=O)=O
SPLASH splash10-004i-0900000000-25f5ff7dc87dac877d2c
Source of Spectrum KC-1990-683-11
Synonyms 2-(2-formylbenzothiophen-3-yl)acetic acid 2-(2-Methanoyl-1-benzothiophen-3-yl)ethanoic acid
Wiley ID 1219502