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4-Butoxy-2,3-dicyanophenyl 4-(4-ethylcyclohexyl)benzoate
SpectraBase Compound ID FCTlvKHJGF3
InChI InChI=1S/C27H30N2O3/c1-3-5-16-31-25-14-15-26(24(18-29)23(25)17-28)32-27(30)22-12-10-21(11-13-22)20-8-6-19(4-2)7-9-20/h10-15,19-20H,3-9,16H2,1-2H3
InChIKey JWHBOGVUNFRLNO-UHFFFAOYSA-N
Mol Weight 430.55 g/mol
Molecular Formula C27H30N2O3
Exact Mass 430.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ghwa7MxH7vE
Name 4-Butoxy-2,3-dicyanophenyl 4-(4-ethylcyclohexyl)benzoate
CAS Registry Number 75941-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O3
InChI InChI=1S/C27H30N2O3/c1-3-5-16-31-25-14-15-26(24(18-29)23(25)17-28)32-27(30)22-12-10-21(11-13-22)20-8-6-19(4-2)7-9-20/h10-15,19-20H,3-9,16H2,1-2H3
InChIKey JWHBOGVUNFRLNO-UHFFFAOYSA-N
Molecular Weight 430.548 g/mol
SMILES C1C(CCC(CC)C1)c1ccc(cc1)C(=O)Oc1ccc(c(c1C#N)C#N)OCCCC
SPLASH splash10-014i-2290000000-7442dffb799ac1b4bb9e
Synonyms 4-(4-Ethylcyclohexyl)benzoic acid (4-butoxy-2,3-dicyano-phenyl) ester Benzoic acid, 4-(4-ethylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester 4-(4-Ethylcyclohexyl)benzoic acid (4-butoxy-2,3-dicyanophenyl) ester (4-butoxy-2,3-dicyanophenyl) 4-(4-ethylcyclohexyl)benzoate
Wiley ID 1476034