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1,1-Cyclohexanedicarbonitrile, 2-(2,6-dimethoxy-4-pentylphenyl)-6-methoxy-4-oxo-
SpectraBase Compound ID DI117vqbP9V
InChI InChI=1S/C22H28N2O4/c1-5-6-7-8-15-9-18(26-2)21(19(10-15)27-3)17-11-16(25)12-20(28-4)22(17,13-23)14-24/h9-10,17,20H,5-8,11-12H2,1-4H3
InChIKey XCSHKKUUMVPJQR-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MQXTCfKCzd
Name 1,1-Cyclohexanedicarbonitrile, 2-(2,6-dimethoxy-4-pentylphenyl)-6-methoxy-4-oxo-
Alternate Name(s) 2-(2,2-Dicyano-3-methoxy-5-oxocyclohexyl)-1,3-dimethoxy-5-pentylbenzene 2-(2,6-dimethoxy-4-pentylphenyl)-6-methoxy-4-oxo-1,1-cyclohexanedicarbonitrile
CAS Registry Number 81482-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-5-6-7-8-15-9-18(26-2)21(19(10-15)27-3)17-11-16(25)12-20(28-4)22(17,13-23)14-24/h9-10,17,20H,5-8,11-12H2,1-4H3
InChIKey XCSHKKUUMVPJQR-UHFFFAOYSA-N
Molecular Weight 384.476 g/mol
SMILES C1(C(c2c(cc(cc2OC)CCCCC)OC)CC(CC1OC)=O)(C#N)C#N
SPLASH splash10-001i-0097000000-7c6caee9d9dac02e58c3
Source of Spectrum I-60-314-0
Wiley ID 1361668