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Benzenecarbothioic acid, S-[3-(acetylamino)-1-propenyl]ester, (Z)-
SpectraBase Compound ID ZTEjXBPV2U
InChI InChI=1S/C12H13NO2S/c1-10(14)13-8-5-9-16-12(15)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3,(H,13,14)/b9-5-
InChIKey JZBGMDZFWPAQDG-UITAMQMPSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5FmhpDiRk1
Name Benzenecarbothioic acid, S-[3-(acetylamino)-1-propenyl]ester, (Z)-
CAS Registry Number 117157-17-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-10(14)13-8-5-9-16-12(15)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3,(H,13,14)/b9-5-
InChIKey JZBGMDZFWPAQDG-UITAMQMPSA-N
Molecular Weight 235.301 g/mol
SMILES N(C(=O)C)C\C=C/SC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-c30f03c554cfb3345e9a
Source of Spectrum KC-1988-580-4
Synonyms S-3-acetamidoprop-1-enyl thiobenzoate S-[(1Z)-3-(acetylamino)-1-propenyl]benzenecarbothioate
Wiley ID 1236979