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2,3-Dicyano-4-ethoxyphenyl 4-pentylcyclohexanecarboxylate
SpectraBase Compound ID 1OD6jGyt1P7
InChI InChI=1S/C22H28N2O3/c1-3-5-6-7-16-8-10-17(11-9-16)22(25)27-21-13-12-20(26-4-2)18(14-23)19(21)15-24/h12-13,16-17H,3-11H2,1-2H3
InChIKey YGUJCUOUJVHJKG-UHFFFAOYSA-N
Mol Weight 368.48 g/mol
Molecular Formula C22H28N2O3
Exact Mass 368.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uKPMMtzB02
Name 2,3-Dicyano-4-ethoxyphenyl 4-pentylcyclohexanecarboxylate
Alternate Name(s) (2,3-dicyano-4-ethoxy-phenyl) 4-pentylcyclohexane-1-carboxylate (2,3-dicyano-4-ethoxy-phenyl) 4-pentylcyclohexanecarboxylate 4-Amylcyclohexanecarboxylic acid (2,3-dicyano-4-ethoxy-phenyl) ester 4-Pentyl-1-cyclohexanecarboxylic acid (2,3-dicyano-4-ethoxyphenyl) ester Cyclohexanecarboxylic acid, 4-pentyl-, 2,3-dicyano-4-ethoxyphenyl ester (2,3-dicyano-4-ethoxyphenyl) 4-pentylcyclohexane-1-carboxylate
CAS Registry Number 133856-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O3
InChI InChI=1S/C22H28N2O3/c1-3-5-6-7-16-8-10-17(11-9-16)22(25)27-21-13-12-20(26-4-2)18(14-23)19(21)15-24/h12-13,16-17H,3-11H2,1-2H3
InChIKey YGUJCUOUJVHJKG-UHFFFAOYSA-N
Molecular Weight 368.477 g/mol
SMILES c1(c(C#N)c(OCC)ccc1OC(C1CCC(CC1)CCCCC)=O)C#N
SPLASH splash10-001j-9200000000-031ec120e828f579bd6e
Source of Spectrum O-26-145-33
Wiley ID 1353250