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2,3-Dicyano-4-ethoxyphenyl 4-(4-butylcyclohexyl)benzoate
SpectraBase Compound ID Ed4Q4sD4nZH
InChI InChI=1S/C27H30N2O3/c1-3-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)27(30)32-26-16-15-25(31-4-2)23(17-28)24(26)18-29/h11-16,19-20H,3-10H2,1-2H3
InChIKey NDMLAEOMQIXOLG-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 2NjyPRqKaF9
Name 2,3-Dicyano-4-ethoxyphenyl 4-(4-butylcyclohexyl)benzoate
CAS Registry Number 86377-40-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O3
InChI InChI=1S/C27H30N2O3/c1-3-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)27(30)32-26-16-15-25(31-4-2)23(17-28)24(26)18-29/h11-16,19-20H,3-10H2,1-2H3
InChIKey NDMLAEOMQIXOLG-UHFFFAOYSA-N
Molecular Weight 430.548 g/mol
SMILES C1C(CCC(CCCC)C1)c1ccc(cc1)C(=O)Oc1ccc(c(c1C#N)C#N)OCC
SPLASH splash10-0006-3390000000-2a61e59406f77862d4a1
Synonyms 4-(4-butylcyclohexyl)benzoic acid (2,3-dicyano-4-ethoxy-phenyl) ester Benzoic acid, 4-(4-butylcyclohexyl)-, 2,3-dicyano-4-ethoxyphenyl ester 4-(4-butylcyclohexyl)benzoic acid (2,3-dicyano-4-ethoxyphenyl) ester (2,3-dicyano-4-ethoxyphenyl) 4-(4-butylcyclohexyl)benzoate
Wiley ID 1476033