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4-Oxo-4-phenyl-(3-phenylthio)butane nitrile
SpectraBase Compound ID 6cbwHcIIIoK
InChI InChI=1S/C16H13NOS/c17-12-11-15(19-14-9-5-2-6-10-14)16(18)13-7-3-1-4-8-13/h1-10,15H,11H2
InChIKey ISPNNJQZQPHPKD-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C16H13NOS
Exact Mass 267.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeMEl2P04hH
Name 4-Oxo-4-phenyl-(3-phenylthio)butane nitrile
Alternate Name(s) 4-Oxo-4-phenyl-3-(phenylsulfanyl)butanenitrile
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Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c17-12-11-15(19-14-9-5-2-6-10-14)16(18)13-7-3-1-4-8-13/h1-10,15H,11H2
InChIKey ISPNNJQZQPHPKD-UHFFFAOYSA-N
Molecular Weight 267.346 g/mol
SMILES C(C(Sc1ccccc1)CC#N)(=O)c1ccccc1
SPLASH splash10-052f-9300000000-0c937d05ddd6f52faa01
Source of Spectrum F-48-2037-10
Wiley ID 1271240