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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 1CU0R5lAQdM
Name BENZOIC ACID, 4-(4-BUTYLCYCLOHEXYL)-, 2,3-DICYANO-4-ETHOXYPHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 430.2249
SMILES C(CC)CC1CCC(c2ccc(C(Oc3c(C#N)c(C#N)c(OCC)cc3)=O)cc2)CC1
SPLASH splash10-0006-3390000000-2a61e59406f77862d4a1
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany