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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4kswUpT5DU
Name 6-CYCLOHEXENYL-6-(PHENYLSULFANYL)-HEXYL-N,N-DIMETHYLDITHIOCARBAMATE
Compound Number 21,N=4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author J.EAMES,S.WARREN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2783(1999)
Literature Reference DOI 10.1039/a905497e
Molecular Weight 393.664 g/mol
Solvent CDCl3
Source File Reference UWRU8921