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6-Cyclohexenyl-6-(phenylsulfanyl)-hexyl-N,N-dimethyldithiocarbamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9vgmy5yarMe
Name 6-Cyclohexenyl-6-(phenylsulfanyl)-hexyl-N,N-dimethyldithiocarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.161863524 u
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 CN(C)C(=S)SCCCCCC(SC1=CC=CC=C1)C1=CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874101