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1-(2-cyanophenyl)-1-phenyl-2-methylthiohexene
SpectraBase Compound ID CGzWfB62sQa
InChI InChI=1S/C20H21NS/c1-3-4-14-19(22-2)20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)15-21/h5-13H,3-4,14H2,1-2H3/b20-19-
InChIKey IKBXZQPNEABOCV-VXPUYCOJSA-N
Mol Weight 307.46 g/mol
Molecular Formula C20H21NS
Exact Mass 307.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4noFGqqTScG
Name 1-(2-cyanophenyl)-1-phenyl-2-methylthiohexene
Alternate Name(s) 1-(2-cyanophenyl)-2-methylthio-1-phenylhex-1-ene 2-[(1Z)-2-(methylsulfanyl)-1-phenyl-1-hexenyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NS
InChI InChI=1S/C20H21NS/c1-3-4-14-19(22-2)20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)15-21/h5-13H,3-4,14H2,1-2H3/b20-19-
InChIKey IKBXZQPNEABOCV-VXPUYCOJSA-N
Molecular Weight 307.455 g/mol
SMILES c1(\C(=C\(SC)CCCC)c2ccccc2)c(C#N)cccc1
SPLASH splash10-0006-9022000000-f9f43a95e467102c5c89
Source of Spectrum F-54-8214-31
Wiley ID 807792