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1,1-Cyclohexanedicarbonitrile, 2-(2,6-dimethoxy-4-pentylphenyl)-4-oxo-, (.+-.)-

View entire compound with spectra: 1 MS (GC)

1,1-Cyclohexanedicarbonitrile, 2-(2,6-dimethoxy-4-pentylphenyl)-4-oxo-, (.+-.)-
SpectraBase Compound ID 9DpmO5OQzCZ
InChI InChI=1S/C21H26N2O3/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/h10-11,17H,4-9,12H2,1-3H3
InChIKey CNYBANNAMHOIAJ-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19JsqVAXS65
Name 1,1-Cyclohexanedicarbonitrile, 2-(2,6-dimethoxy-4-pentylphenyl)-4-oxo-, (.+-.)-
Alternate Name(s) 2-(2,2-Dicyano-5-oxo-3-cyclohexenyl)-1,3-dimethoxy-5-pentylbenzene 2-(2,6-dimethoxy-4-pentylphenyl)-4-oxo-1,1-cyclohexanedicarbonitrile
CAS Registry Number 81482-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/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/h10-11,17H,4-9,12H2,1-3H3
InChIKey CNYBANNAMHOIAJ-UHFFFAOYSA-N
Molecular Weight 354.450 g/mol
SMILES c1(C2C(C#N)(C#N)CCC(C2)=O)c(cc(cc1OC)CCCCC)OC
SPLASH splash10-0fn9-1289000000-0939f36b86f4dc6d34b3
Source of Spectrum I-60-315-0
Wiley ID 1344753