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4-Butoxy-2,3-dicyanophenyl 4-Hexylcyclohexanecarboxylate
SpectraBase Compound ID 1dZrpyjKb2b
InChI InChI=1S/C25H34N2O3/c1-3-5-7-8-9-19-10-12-20(13-11-19)25(28)30-24-15-14-23(29-16-6-4-2)21(17-26)22(24)18-27/h14-15,19-20H,3-13,16H2,1-2H3
InChIKey RQCPSHMTMFULKR-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H34N2O3
Exact Mass 410.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ggn8yKDzrse
Name CYCLOHEXANECARBOXYLIC ACID, 4-HEXYL-, 4-BUTOXY-2,3-DICYANOPHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H34N2O3
InChI InChI=1S/C25H34N2O3/c1-3-5-7-8-9-19-10-12-20(13-11-19)25(28)30-24-15-14-23(29-16-6-4-2)21(17-26)22(24)18-27/h14-15,19-20H,3-13,16H2,1-2H3
InChIKey RQCPSHMTMFULKR-UHFFFAOYSA-N
Molecular Weight 410.2561
SMILES CCCCCCC1CCC(C(Oc2c(C#N)c(C#N)c(OCCCC)cc2)=O)CC1
SPLASH splash10-090s-9400000000-4f7724d4d3ec4bd9c629
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany