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(S)-4-tert-Butylsulfanyl-4-(4'-chlorophenyl)-butan-2-one
SpectraBase Compound ID F4GCvgJPXvO
InChI InChI=1S/C14H19ClOS/c1-10(16)9-13(17-14(2,3)4)11-5-7-12(15)8-6-11/h5-8,13H,9H2,1-4H3/t13-/m0/s1
InChIKey XBQIIGLDCBXNQK-ZDUSSCGKSA-N
Mol Weight 270.82 g/mol
Molecular Formula C14H19ClOS
Exact Mass 270.084514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F16uqBdT8ex
Name (S)-4-tert-Butylsulfanyl-4-(4'-chlorophenyl)-butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19ClOS
InChI InChI=1S/C14H19ClOS/c1-10(16)9-13(17-14(2,3)4)11-5-7-12(15)8-6-11/h5-8,13H,9H2,1-4H3/t13-/m0/s1
InChIKey XBQIIGLDCBXNQK-ZDUSSCGKSA-N
Literature Reference DOI 10.1021/ol200379r
Molecular Weight 270.818 g/mol
SMILES c1(ccc(cc1)Cl)[C@](CC(C)=O)(SC(C)(C)C)[H]
SPLASH splash10-052f-9130000000-65d2a02441863538adc6
Source of Spectrum A1-13-2150/SMS7-14
Synonyms (S)-4-(tert-butylthio)-4-(4-chlorophenyl)butan-2-one (4S)-4-(tert-butylthio)-4-(4-chlorophenyl)-2-butanone (4S)-4-tert-butylsulfanyl-4-(4-chlorophenyl)butan-2-one
Wiley ID 1753114