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2-(2-Benzylsulfanyl-acetylamino)-5-chloro-benzoic acid
SpectraBase Compound ID 6tJheyRKFeN
InChI InChI=1S/C16H14ClNO3S/c17-12-6-7-14(13(8-12)16(20)21)18-15(19)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKey JNCINEHSPBAHHJ-UHFFFAOYSA-N
Mol Weight 335.81 g/mol
Molecular Formula C16H14ClNO3S
Exact Mass 335.038292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wJkktCqvI
Name 2-(2-Benzylsulfanyl-acetylamino)-5-chloro-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClNO3S
InChI InChI=1S/C16H14ClNO3S/c17-12-6-7-14(13(8-12)16(20)21)18-15(19)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKey JNCINEHSPBAHHJ-UHFFFAOYSA-N
Molecular Weight 335.805 g/mol
SMILES OC(c1cc(ccc1NC(CSCc1ccccc1)=O)Cl)=O
SPLASH splash10-00dl-6930000000-913e4370b08d630c2afa
Synonyms 2-([(Benzylsulfanyl)acetyl]amino)-5-chlorobenzoic acid 2-[[2-(benzylthio)acetyl]amino]-5-chloro-benzoic acid 5-Chloranyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid 5-Chloro-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid 2-[(2-benzylsulfanylacetyl)amino]-5-chlorobenzoic acid
Wiley ID 1445977