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trans-4-Cyano-3-phenylsulfonyl-cyclohexene

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trans-4-Cyano-3-phenylsulfonyl-cyclohexene
SpectraBase Compound ID A5iL97s39DN
InChI InChI=1S/C13H13NO2S/c14-10-11-6-4-5-9-13(11)17(15,16)12-7-2-1-3-8-12/h1-3,5,7-9,11,13H,4,6H2
InChIKey AEBQBBBSYZBXBT-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8D5mLZ84zBO
Name trans-4-Cyano-3-phenylsulfonyl-cyclohexene
CAS Registry Number 109802-77-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c14-10-11-6-4-5-9-13(11)17(15,16)12-7-2-1-3-8-12/h1-3,5,7-9,11,13H,4,6H2
InChIKey AEBQBBBSYZBXBT-UHFFFAOYSA-N
Literature Reference J.E. Baeckvall, S.K. Juntunen, J. Am. Chem. Soc. 109, 6396 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported