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4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate
SpectraBase Compound ID IcbuGpjyx20
InChI InChI=1S/C23H30N2O3/c1-3-5-7-17-8-10-18(11-9-17)23(26)28-22-13-12-21(27-14-6-4-2)19(15-24)20(22)16-25/h12-13,17-18H,3-11,14H2,1-2H3
InChIKey VYKAODSMVPMUAT-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C23H30N2O3
Exact Mass 382.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcbwSPQyS0h
Name 4-Butoxy-2,3-dicyanophenyl 4-butylcyclohexanecarboxylate
CAS Registry Number 75941-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O3
InChI InChI=1S/C23H30N2O3/c1-3-5-7-17-8-10-18(11-9-17)23(26)28-22-13-12-21(27-14-6-4-2)19(15-24)20(22)16-25/h12-13,17-18H,3-11,14H2,1-2H3
InChIKey VYKAODSMVPMUAT-UHFFFAOYSA-N
Molecular Weight 382.504 g/mol
SMILES c1c(c(c(c(OC(C2CCC(CCCC)CC2)=O)c1)C#N)C#N)OCCCC
SPLASH splash10-053r-9200000000-d6ee6e68b2820795d371
Synonyms (4-butoxy-2,3-dicyano-phenyl) 4-butylcyclohexane-1-carboxylate 4-Butyl-1-cyclohexanecarboxylic acid (4-butoxy-2,3-dicyanophenyl) ester 4-Butylcyclohexanecarboxylic acid (4-butoxy-2,3-dicyano-phenyl) ester Cyclohexanecarboxylic acid, 4-butyl-, 4-butoxy-2,3-dicyanophenyl ester (4-butoxy-2,3-dicyanophenyl) 4-butylcyclohexane-1-carboxylate
Wiley ID 1476076