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4-Vinyl-5-cyanomethyl-5-methyl-6-oxo-heptanoic acid, methyl ester

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4-Vinyl-5-cyanomethyl-5-methyl-6-oxo-heptanoic acid, methyl ester
SpectraBase Compound ID A9J8NouZRTh
InChI InChI=1S/C13H19NO3/c1-5-11(6-7-12(16)17-4)13(3,8-9-14)10(2)15/h5,11H,1,6-8H2,2-4H3
InChIKey UCCFDWBEWVPPRO-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gtanLxhKif
Name 4-Vinyl-5-cyanomethyl-5-methyl-6-oxo-heptanoic acid, methyl ester
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-5-11(6-7-12(16)17-4)13(3,8-9-14)10(2)15/h5,11H,1,6-8H2,2-4H3
InChIKey UCCFDWBEWVPPRO-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