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2-(Acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SpectraBase Compound ID 8zl1h6L9Ved
InChI InChI=1S/C11H13NO3S/c1-6(13)12-10-9(11(14)15)7-4-2-3-5-8(7)16-10/h2-5H2,1H3,(H,12,13)(H,14,15)
InChIKey YQJPHNLITLRBAJ-UHFFFAOYSA-N
Mol Weight 239.29 g/mol
Molecular Formula C11H13NO3S
Exact Mass 239.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GouLvXGgUrh
Name 2-(Acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS Registry Number 13130-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3S
InChI InChI=1S/C11H13NO3S/c1-6(13)12-10-9(11(14)15)7-4-2-3-5-8(7)16-10/h2-5H2,1H3,(H,12,13)(H,14,15)
InChIKey YQJPHNLITLRBAJ-UHFFFAOYSA-N
Molecular Weight 239.289 g/mol
SMILES N(c1sc2c(c1C(O)=O)CCCC2)C(C)=O
SPLASH splash10-0006-9440000000-119684bca72f967ef0ac
Synonyms 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-Acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid
Wiley ID 1456949