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4-Butoxy-2,3-dicyanophenyl 4-(4-butylcyclohexyl)benzoate
SpectraBase Compound ID 6nQ5zdPUnEN
InChI InChI=1S/C29H34N2O3/c1-3-5-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)29(32)34-28-17-16-27(33-18-6-4-2)25(19-30)26(28)20-31/h12-17,21-22H,3-11,18H2,1-2H3
InChIKey LZQBZDRWKGGVFL-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C29H34N2O3
Exact Mass 458.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EmyJnbEvwm
Name BENZOIC ACID, 4-(4-BUTYLCYCLOHEXYL)-, 4-BUTOXY-2,3-DICYANOPHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H34N2O3
InChI InChI=1S/C29H34N2O3/c1-3-5-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)29(32)34-28-17-16-27(33-18-6-4-2)25(19-30)26(28)20-31/h12-17,21-22H,3-11,18H2,1-2H3
InChIKey LZQBZDRWKGGVFL-UHFFFAOYSA-N
Molecular Weight 458.2561
SMILES C(CC)CC1CCC(c2ccc(C(Oc3c(C#N)c(C#N)c(OCCCC)cc3)=O)cc2)CC1
SPLASH splash10-0006-3390000000-68468af547fba98c7219
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany