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S-[(2S)-2-Acetylamino-3-phenylpropyl] m-chlorothiobenzoate
SpectraBase Compound ID 9xNZ9CT3C7Y
InChI InChI=1S/C18H18ClNO2S/c1-13(21)20-17(10-14-6-3-2-4-7-14)12-23-18(22)15-8-5-9-16(19)11-15/h2-9,11,17H,10,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKey DLXWVRNASVKXFF-KRWDZBQOSA-N
Mol Weight 347.86 g/mol
Molecular Formula C18H18ClNO2S
Exact Mass 347.074678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDRPCqLQKvd
Name S-[(2S)-2-Acetylamino-3-phenylpropyl] m-chlorothiobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNO2S
InChI InChI=1S/C18H18ClNO2S/c1-13(21)20-17(10-14-6-3-2-4-7-14)12-23-18(22)15-8-5-9-16(19)11-15/h2-9,11,17H,10,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKey DLXWVRNASVKXFF-KRWDZBQOSA-N
Molecular Weight 347.860 g/mol
SMILES N(C(=O)C)[C@](CSC(c1cc(Cl)ccc1)=O)(Cc1ccccc1)[H]
SPLASH splash10-0a4i-0290000000-b303c6baa8cdf880a314
Source of Spectrum KC-0-941-12
Synonyms 3-Chlorobenzenecarbothioic acid S-[(2S)-2-acetamido-3-phenylpropyl]ester 3-Chlorothiobenzoic acid S-[(2S)-2-acetamido-3-phenyl-propyl]ester S-[(2S)-2-(acetylamino)-3-phenylpropyl]3-chlorobenzenecarbothioate S-[(2S)-2-acetamido-3-phenyl-propyl]3-chloranylbenzenecarbothioate S-[(2S)-2-acetamido-3-phenyl-propyl]3-chlorobenzenecarbothioate 3-Chlorobenzenecarbothioic acid S-[(2S)-2-acetamido-3-phenylpropyl] ester S-[(2S)-2-acetamido-3-phenylpropyl] 3-chlorobenzenecarbothioate S-[(2S)-2-acetamido-3-phenyl-propyl] 3-chlorobenzenecarbothioate S-[(2S)-2-acetamido-3-phenyl-propyl] 3-chloranylbenzenecarbothioate
Wiley ID 787709