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2-Cyclohexene-1,1-dicarbonitrile, 6-(2,6-dimethoxy-4-pentylphenyl)-4-oxo-, (.+-.)-
SpectraBase Compound ID hIMBAJ11aX
InChI InChI=1S/C21H24N2O3/c1-4-5-6-7-15-10-18(25-2)20(19(11-15)26-3)17-12-16(24)8-9-21(17,13-22)14-23/h8-11,17H,4-7,12H2,1-3H3
InChIKey ZMRRWQAINNQEIY-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KRzJzbhFi7
Name 2-Cyclohexene-1,1-dicarbonitrile, 6-(2,6-dimethoxy-4-pentylphenyl)-4-oxo-, (.+-.)-
CAS Registry Number 81482-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-4-5-6-7-15-10-18(25-2)20(19(11-15)26-3)17-12-16(24)8-9-21(17,13-22)14-23/h8-11,17H,4-7,12H2,1-3H3
InChIKey ZMRRWQAINNQEIY-UHFFFAOYSA-N
Molecular Weight 352.434 g/mol
SMILES c1(C2C(C=CC(C2)=O)(C#N)C#N)c(cc(cc1OC)CCCCC)OC
SPLASH splash10-001i-0292000000-bd73d8c1c34852261f72
Source of Spectrum I-60-314-0
Synonyms 2-(2,2-Dicyano-5-oxo-3-cyclohexenyl)-1,3-dimethoxy-5-pentylbenzene 6-(2,6-dimethoxy-4-pentylphenyl)-4-oxo-2-cyclohexene-1,1-dicarbonitrile
Wiley ID 1343432