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(S)-4-Benzylsulfanyl-4-(4'-nitro-phenyl)-butan-2-one
SpectraBase Compound ID Ir57ACkTMuO
InChI InChI=1S/C17H17NO3S/c1-13(19)11-17(22-12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)18(20)21/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKey XIOFTMDFRJICJC-KRWDZBQOSA-N
Mol Weight 315.39 g/mol
Molecular Formula C17H17NO3S
Exact Mass 315.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FUkpiHMnXc
Name (S)-4-Benzylsulfanyl-4-(4'-nitro-phenyl)-butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3S
InChI InChI=1S/C17H17NO3S/c1-13(19)11-17(22-12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)18(20)21/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKey XIOFTMDFRJICJC-KRWDZBQOSA-N
Literature Reference DOI 10.1021/ol200379r
Molecular Weight 315.387 g/mol
SMILES c1cc([C@@](SCc2ccccc2)(CC(=O)C)[H])ccc1[N+](=O)[O-]
SPLASH splash10-0006-6910000000-52e5dbe9c92abc9831cb
Source of Spectrum A1-13-2150/SMS6-10
Synonyms (S)-4-(benzylthio)-4-(4-nitrophenyl)butan-2-one (4S)-4-(4-nitrophenyl)-4-(phenylmethylthio)-2-butanone (4S)-4-benzylsulfanyl-4-(4-nitrophenyl)butan-2-one (4S)-4-(4-nitrophenyl)-4-(phenylmethylsulfanyl)butan-2-one
Wiley ID 1753110