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trans-2-(Methal-cyanomethyl-amino)-1-(1-phenylthio-vinyl)-cyclohexanol
SpectraBase Compound ID JaP9hSAR2Z4
InChI InChI=1S/C17H22N2OS/c1-14(21-15-8-4-3-5-9-15)17(20)11-7-6-10-16(17)19(2)13-12-18/h3-5,8-9,16,20H,1,6-7,10-11,13H2,2H3
InChIKey RPOWYGMLSAABBB-UHFFFAOYSA-N
Mol Weight 302.44 g/mol
Molecular Formula C17H22N2OS
Exact Mass 302.145285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBASydYFrbD
Name trans-2-(Methal-cyanomethyl-amino)-1-(1-phenylthio-vinyl)-cyclohexanol
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Formula C17H22N2OS
InChI InChI=1S/C17H22N2OS/c1-14(21-15-8-4-3-5-9-15)17(20)11-7-6-10-16(17)19(2)13-12-18/h3-5,8-9,16,20H,1,6-7,10-11,13H2,2H3
InChIKey RPOWYGMLSAABBB-UHFFFAOYSA-N
Instrument Name SF = 250 MHz
Literature Reference E.J. Jacobsen, J. Levin, L.E. Overman, J. Am. Chem. Soc. 110, 4329 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3