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1-Cyano-4-methyl-1-thiomethyl-3-cyclohexene

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1-Cyano-4-methyl-1-thiomethyl-3-cyclohexene
SpectraBase Compound ID JSqYD8tktrh
InChI InChI=1S/C9H13NS/c1-8-3-5-9(7-10,11-2)6-4-8/h3H,4-6H2,1-2H3
InChIKey JNUGZZVDQPLNOJ-UHFFFAOYSA-N
Mol Weight 167.27 g/mol
Molecular Formula C9H13NS
Exact Mass 167.076871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WlzAuRo5IU
Name 1-Cyano-4-methyl-1-thiomethyl-3-cyclohexene
CAS Registry Number 82297-10-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13NS
InChI InChI=1S/C9H13NS/c1-8-3-5-9(7-10,11-2)6-4-8/h3H,4-6H2,1-2H3
InChIKey JNUGZZVDQPLNOJ-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