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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j7rP1TOUka
Name 3-Cyclohexene-1-carbonitrile, 6-(3,3-dimethyl-1,2-dioxobutyl)-3,4-dimethyl-
Alternate Name(s) 3,4-Dimethyl-6-(3',3'-dimethyl-1',2'-dioxobutyl)cyclohex-3-enecarbonitrile 6-(3,3-dimethyl-2-oxobutanoyl)-3,4-dimethyl-3-cyclohexene-1-carbonitrile
CAS Registry Number 77987-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 247.338 g/mol
SMILES C(C1CC(C)=C(CC1C#N)C)(C(C(C)(C)C)=O)=O
SPLASH splash10-0a4i-9200000000-492b46430f3ff3f2a1d2
Source of Spectrum B-36-974-0
Wiley ID 1250138