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1-Carboethoxyamido-2-cyano-4-methyl-2-thiomethyl-5-cyclohexene
SpectraBase Compound ID 7cTh3NRzfjB
InChI InChI=1S/C12H18N2O2S/c1-4-16-11(15)14-10-6-5-9(2)7-12(10,8-13)17-3/h5-6,9-10H,4,7H2,1-3H3,(H,14,15)
InChIKey SSFUGFAJSKFFPU-UHFFFAOYSA-N
Mol Weight 254.35 g/mol
Molecular Formula C12H18N2O2S
Exact Mass 254.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ILLalKPAZv
Name 1-Carboethoxyamido-2-cyano-4-methyl-2-thiomethyl-5-cyclohexene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18N2O2S
InChI InChI=1S/C12H18N2O2S/c1-4-16-11(15)14-10-6-5-9(2)7-12(10,8-13)17-3/h5-6,9-10H,4,7H2,1-3H3,(H,14,15)
InChIKey SSFUGFAJSKFFPU-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference Tetrahedron 42, 3871 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3