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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 GXsEwFZDo4b
Name 3,4-DIMETHYL-6-(3',3'-DIMETHYL-1',2'-DIOXO-BUTYL)-CYCLOHEX-3-ENE-CARBONITRILE;C1-DIASTEREOMER-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author B.J.BARNES,P.J.NEWCOMBE,R.K.NORRIS
Literature Reference Citation AUSTR.J.CHEM.,36,963(1983)
Literature Reference DOI 10.1071/CH9830963
Molecular Weight 247.337 g/mol
Solvent CDCl3
Source File Reference UNIW22443