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

*Links on SpectraBase are not permalinks.

2-(4-MERCAPTO-1,1-DIMETHYL-2-THIABUTYL)-5-METHYLCYCLOHEXAN-1-ON

View entire compound with spectra: 4 NMR

2-(4-MERCAPTO-1,1-DIMETHYL-2-THIABUTYL)-5-METHYLCYCLOHEXAN-1-ON
SpectraBase Compound ID 7L86eu1Dhqn
InChI InChI=1S/C12H22OS2/c1-9-4-5-10(11(13)8-9)12(2,3)15-7-6-14/h9-10,14H,4-8H2,1-3H3
InChIKey NXHSQEZEDKHSEZ-UHFFFAOYSA-N
Mol Weight 246.43 g/mol
Molecular Formula C12H22OS2
Exact Mass 246.111208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BQ9WRLSJl5a
Name 2-(1,1-Dimethyl-4-mercapto-2-thiabutyl)-5-methyl-1-cyclohexanone
CAS Registry Number 65447-97-4
Comments *3S,6S
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22OS2
InChI InChI=1S/C12H22OS2/c1-9-4-5-10(11(13)8-9)12(2,3)15-7-6-14/h9-10,14H,4-8H2,1-3H3
InChIKey NXHSQEZEDKHSEZ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference A. Hoppmann, P. Weyerstahl, Liebigs Ann. Chem. 1547 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3