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4-Butoxy-2,3-dicyanophenyl 4-pentylcyclohexanecarboxylate

View entire compound with spectra: 3 MS (GC)

4-Butoxy-2,3-dicyanophenyl 4-pentylcyclohexanecarboxylate
SpectraBase Compound ID AUIknetqavS
InChI InChI=1S/C24H32N2O3/c1-3-5-7-8-18-9-11-19(12-10-18)24(27)29-23-14-13-22(28-15-6-4-2)20(16-25)21(23)17-26/h13-14,18-19H,3-12,15H2,1-2H3
InChIKey FPNKCALAUFATJN-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C24H32N2O3
Exact Mass 396.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGUJYHIHTgj
Name 4-Butoxy-2,3-dicyanophenyl 4-pentylcyclohexanecarboxylate
CAS Registry Number 75941-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O3
InChI InChI=1S/C24H32N2O3/c1-3-5-7-8-18-9-11-19(12-10-18)24(27)29-23-14-13-22(28-15-6-4-2)20(16-25)21(23)17-26/h13-14,18-19H,3-12,15H2,1-2H3
InChIKey FPNKCALAUFATJN-UHFFFAOYSA-N
Molecular Weight 396.531 g/mol
SMILES CCCCCC1CCC(CC1)C(=O)Oc1ccc(c(c1C#N)C#N)OCCCC
SPLASH splash10-06sj-9300000000-5e98a290e226f3024544
Synonyms (4-butoxy-2,3-dicyano-phenyl) 4-pentylcyclohexane-1-carboxylate 4-Amylcyclohexanecarboxylic acid (4-butoxy-2,3-dicyano-phenyl) ester 4-Pentyl-1-cyclohexanecarboxylic acid (4-butoxy-2,3-dicyanophenyl) ester Cyclohexanecarboxylic acid, 4-pentyl-, 4-butoxy-2,3-dicyanophenyl ester (4-butoxy-2,3-dicyanophenyl) 4-pentylcyclohexane-1-carboxylate
Wiley ID 1476073