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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 EYrnt52MbdP
Name 4-Butoxy-2,3-dicyanophenyl 4-Hexylcyclohexanecarboxylate
Alternate Name(s) (4-butoxy-2,3-dicyano-phenyl) 4-hexylcyclohexane-1-carboxylate 4-Hexyl-1-cyclohexanecarboxylic acid (4-butoxy-2,3-dicyanophenyl) ester 4-Hexylcyclohexanecarboxylic acid (4-butoxy-2,3-dicyano-phenyl) ester Cyclohexanecarboxylic acid, 4-hexyl-, 4-butoxy-2,3-dicyanophenyl ester (4-butoxy-2,3-dicyanophenyl) 4-hexylcyclohexane-1-carboxylate
CAS Registry Number 75941-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 410.558 g/mol
SMILES C(C)CCCCC1CCC(CC1)C(=O)Oc1ccc(c(c1C#N)C#N)OCCCC
SPLASH splash10-090s-9400000000-4f7724d4d3ec4bd9c629
Wiley ID 1476071