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2,3-Dicyano-4-ethoxyphenyl 4-hexylcyclohexanecarboxylate
SpectraBase Compound ID 5ncPZs5sFUx
InChI InChI=1S/C23H30N2O3/c1-3-5-6-7-8-17-9-11-18(12-10-17)23(26)28-22-14-13-21(27-4-2)19(15-24)20(22)16-25/h13-14,17-18H,3-12H2,1-2H3
InChIKey IDWKXQRFOHREBK-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 9qs2AStL4qL
Name 2,3-Dicyano-4-ethoxyphenyl 4-hexylcyclohexanecarboxylate
CAS Registry Number 133856-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O3
InChI InChI=1S/C23H30N2O3/c1-3-5-6-7-8-17-9-11-18(12-10-17)23(26)28-22-14-13-21(27-4-2)19(15-24)20(22)16-25/h13-14,17-18H,3-12H2,1-2H3
InChIKey IDWKXQRFOHREBK-UHFFFAOYSA-N
Molecular Weight 382.504 g/mol
SMILES c1(c(C#N)c(OCC)ccc1OC(C1CCC(CC1)CCCCCC)=O)C#N
SPLASH splash10-090s-9400000000-23fc5e054cff3ffd94f1
Source of Spectrum O-26-145-36
Synonyms (2,3-dicyano-4-ethoxy-phenyl) 4-hexylcyclohexane-1-carboxylate (2,3-dicyano-4-ethoxy-phenyl) 4-hexylcyclohexanecarboxylate 4-Hexyl-1-cyclohexanecarboxylic acid (2,3-dicyano-4-ethoxyphenyl) ester 4-Hexylcyclohexanecarboxylic acid (2,3-dicyano-4-ethoxy-phenyl) ester Cyclohexanecarboxylic acid, 4-hexyl-, 2,3-dicyano-4-ethoxyphenyl ester (2,3-dicyano-4-ethoxyphenyl) 4-hexylcyclohexane-1-carboxylate
Wiley ID 1360720