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6-Cyclohexenyl-6-(phenylsulfanyl)hexyl N,N-dimethyldithiocarbamate
SpectraBase Compound ID 25gwOXKaNoX
InChI InChI=1S/C21H31NS3/c1-22(2)21(23)24-17-11-5-10-16-20(18-12-6-3-7-13-18)25-19-14-8-4-9-15-19/h4,8-9,12,14-15,20H,3,5-7,10-11,13,16-17H2,1-2H3
InChIKey JJQKJKDPUIGOSG-UHFFFAOYSA-N
Mol Weight 393.67 g/mol
Molecular Formula C21H31NS3
Exact Mass 393.161864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmhMEImtzbX
Name 6-Cyclohexenyl-6-(phenylsulfanyl)hexyl N,N-dimethyldithiocarbamate
Alternate Name(s) 6-(1-cyclohexen-1-yl)-6-(phenylsulfanyl)hexyl dimethyldithiocarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NS3
InChI InChI=1S/C21H31NS3/c1-22(2)21(23)24-17-11-5-10-16-20(18-12-6-3-7-13-18)25-19-14-8-4-9-15-19/h4,8-9,12,14-15,20H,3,5-7,10-11,13,16-17H2,1-2H3
InChIKey JJQKJKDPUIGOSG-UHFFFAOYSA-N
Molecular Weight 393.666 g/mol
SMILES C(=S)(N(C)C)SCCCCCC(C1=CCCCC1)Sc1ccccc1
SPLASH splash10-0a63-2994000000-4240e6008d09d960947b
Source of Spectrum KC-0-2789-21
Wiley ID 829055