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1-(2-Methoxycarbonyl-ethyl)-2-cyanomethyl-2,3-dimethyl-cyclopent-3-en-4-one

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1-(2-Methoxycarbonyl-ethyl)-2-cyanomethyl-2,3-dimethyl-cyclopent-3-en-4-one
SpectraBase Compound ID LHBJKr9CdGS
InChI InChI=1S/C13H17NO3/c1-9-8-11(15)10(4-5-12(16)17-3)13(9,2)6-7-14/h8,10H,4-6H2,1-3H3
InChIKey QADLFZBVFJIFKZ-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 2GxjD9DFk2l
Name 1-(2-Methoxycarbonyl-ethyl)-2-cyanomethyl-2,3-dimethyl-cyclopent-3-en-4-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-9-8-11(15)10(4-5-12(16)17-3)13(9,2)6-7-14/h8,10H,4-6H2,1-3H3
InChIKey QADLFZBVFJIFKZ-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