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cis-1-Cyano-5-carbomethoxy-6-methyl-cyclohexene
SpectraBase Compound ID Gmo1cApDaJL
InChI InChI=1S/C10H13NO2/c1-7-8(6-11)4-3-5-9(7)10(12)13-2/h4,7,9H,3,5H2,1-2H3
InChIKey TXXCZEKSMKKMRY-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pSnzhBcm7a
Name cis-1-Cyano-5-carbomethoxy-6-methyl-cyclohexene
CAS Registry Number 109802-94-0
Comments REASSIGNED (W.M.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-7-8(6-11)4-3-5-9(7)10(12)13-2/h4,7,9H,3,5H2,1-2H3
InChIKey TXXCZEKSMKKMRY-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