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2-Cyano-1-cyclohexyl-3,3-bis(methylthio)-prop-2-en-1-one

View entire compound with spectra: 2 NMR

2-Cyano-1-cyclohexyl-3,3-bis(methylthio)-prop-2-en-1-one
SpectraBase Compound ID LjLOu6xzMbc
InChI InChI=1S/C12H17NOS2/c1-15-12(16-2)10(8-13)11(14)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKey CSOBAKBCINBONW-UHFFFAOYSA-N
Mol Weight 255.39 g/mol
Molecular Formula C12H17NOS2
Exact Mass 255.075157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Lx9bKORIzJ
Name 2-Cyano-1-cyclohexyl-3,3-bis(methylthio)-prop-2-en-1-one
Comments 20 MHZ OR 50 MHZ SPECTRUM
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H17NOS2
InChI InChI=1S/C12H17NOS2/c1-15-12(16-2)10(8-13)11(14)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKey CSOBAKBCINBONW-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference G. Fischer, W-D. Rudorf, E. Kleinpeter, Magn. Res. Chem. 29, 212 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3