For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(2-cyanophenyl)-2-benzylthiohex-1-ene
SpectraBase Compound ID 3URRcoBU5aT
InChI InChI=1S/C20H21NS/c1-2-3-13-20(22-16-17-9-5-4-6-10-17)14-18-11-7-8-12-19(18)15-21/h4-12,14H,2-3,13,16H2,1H3/b20-14+
InChIKey CIWFDZAHQCOFKB-XSFVSMFZSA-N
Mol Weight 307.46 g/mol
Molecular Formula C20H21NS
Exact Mass 307.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LDwb1kdFHav
Name 1-(2-cyanophenyl)-2-benzylthiohex-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NS
InChI InChI=1S/C20H21NS/c1-2-3-13-20(22-16-17-9-5-4-6-10-17)14-18-11-7-8-12-19(18)15-21/h4-12,14H,2-3,13,16H2,1H3/b20-14+
InChIKey CIWFDZAHQCOFKB-XSFVSMFZSA-N
Molecular Weight 307.455 g/mol
SMILES c1(\C=C/(SCc2ccccc2)CCCC)c(C#N)cccc1
SPLASH splash10-0006-9101000000-f5b1c3d64f6fad2dd297
Source of Spectrum F-54-8214-30
Synonyms 2-[(1E)-2-(benzylsulfanyl)-1-hexenyl]benzonitrile
Wiley ID 807791