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1-Cyanomethyl-1-methyl-2-(2-methoxycarbonyl-ethyl)-cyclohex-4-en-6-one

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1-Cyanomethyl-1-methyl-2-(2-methoxycarbonyl-ethyl)-cyclohex-4-en-6-one
SpectraBase Compound ID DT2bWyJKCRl
InChI InChI=1S/C13H17NO3/c1-13(8-9-14)10(4-3-5-11(13)15)6-7-12(16)17-2/h3,5,10H,4,6-8H2,1-2H3
InChIKey NKHVOJFJTCAKRW-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6ZKytvJJVz
Name 1-Cyanomethyl-1-methyl-2-(2-methoxycarbonyl-ethyl)-cyclohex-4-en-6-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-13(8-9-14)10(4-3-5-11(13)15)6-7-12(16)17-2/h3,5,10H,4,6-8H2,1-2H3
InChIKey NKHVOJFJTCAKRW-UHFFFAOYSA-N
Literature Reference R.V. Stevens, J.H. Chang, R. Lapalme, J. Am. Chem. Soc. 105, 7719 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3