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4-Chloro-3-phenyl-4-(p-tolylsulfinyl)butyronitrile
SpectraBase Compound ID IfYnyJ0iw2m
InChI InChI=1S/C17H16ClNOS/c1-13-7-9-15(10-8-13)21(20)17(18)16(11-12-19)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3
InChIKey DCZUFVGKSFWMJD-UHFFFAOYSA-N
Mol Weight 317.83 g/mol
Molecular Formula C17H16ClNOS
Exact Mass 317.064113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6P1fzZZoo6M
Name 4-Chloro-3-phenyl-4-(p-tolylsulfinyl)butyronitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClNOS
InChI InChI=1S/C17H16ClNOS/c1-13-7-9-15(10-8-13)21(20)17(18)16(11-12-19)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3
InChIKey DCZUFVGKSFWMJD-UHFFFAOYSA-N
Molecular Weight 317.834 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(c1ccccc1)CC#N)Cl
SPLASH splash10-002f-0901000000-a4ca5ed92721fc21d4dc
Source of Spectrum F-56-5119-27
Synonyms 4-Chloro-4-[(4-methylphenyl)sulfinyl]-3-phenylbutanenitrile
Wiley ID 857689