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3,4-DIMETHYL-6-(3',3'-DIMETHYL-1',2'-DIOXO-BUTYL)-CYCLOHEX-3-ENE-CARBONITRILE;C1-DIASTEREOMER-A
SpectraBase Compound ID DhbO1szedsN
InChI InChI=1S/C15H21NO2/c1-9-6-11(8-16)12(7-10(9)2)13(17)14(18)15(3,4)5/h11-12H,6-7H2,1-5H3
InChIKey LOBVFCXOVFFZRU-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cy9TpCs9SVk
Name 3,4-Dimethyl-6-(3',3'-dimethyl-1',2'-dioxo-butyl)-cyclohex-3-ene-carbonitrile
CAS Registry Number 77987-20-3
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-9-6-11(8-16)12(7-10(9)2)13(17)14(18)15(3,4)5/h11-12H,6-7H2,1-5H3
InChIKey LOBVFCXOVFFZRU-UHFFFAOYSA-N
Instrument Name SF = 060 MHz
Literature Reference Austr. J. Chem. 36, 963 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3