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 Google Search
Mol Weight	347.86 g/mol
Molecular Formula	C18H18ClNO2S
Exact Mass	347.074678 g/mol

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SpectraBase Spectrum ID	IDRPCqLQKvd
Name	S-[(2S)-2-Acetylamino-3-phenylpropyl] m-chlorothiobenzoate
Alternate Name(s)	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
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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
Wiley ID	787709