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2,3-Dicyano-4-(pentyloxy)phenyl 4-hexylcyclohexanecarboxylate
SpectraBase Compound ID 835d4ywqMI
InChI InChI=1S/C26H36N2O3/c1-3-5-7-8-10-20-11-13-21(14-12-20)26(29)31-25-16-15-24(30-17-9-6-4-2)22(18-27)23(25)19-28/h15-16,20-21H,3-14,17H2,1-2H3
InChIKey GRRIAXUKEORZAA-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C26H36N2O3
Exact Mass 424.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1sqzNu9deS
Name 2,3-Dicyano-4-(pentyloxy)phenyl 4-hexylcyclohexanecarboxylate
CAS Registry Number 75941-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O3
InChI InChI=1S/C26H36N2O3/c1-3-5-7-8-10-20-11-13-21(14-12-20)26(29)31-25-16-15-24(30-17-9-6-4-2)22(18-27)23(25)19-28/h15-16,20-21H,3-14,17H2,1-2H3
InChIKey GRRIAXUKEORZAA-UHFFFAOYSA-N
Molecular Weight 424.585 g/mol
SMILES C(C)CCCCC1CCC(CC1)C(=O)Oc1ccc(c(c1C#N)C#N)OCCCCC
SPLASH splash10-029w-9300000000-706902d93e5bf168740b
Synonyms (2,3-dicyano-4-pentoxy-phenyl) 4-hexylcyclohexane-1-carboxylate (2,3-dicyano-4-pentoxy-phenyl) 4-hexylcyclohexanecarboxylate 4-Hexyl-1-cyclohexanecarboxylic acid (2,3-dicyano-4-pentoxyphenyl) ester 4-Hexylcyclohexanecarboxylic acid (4-amoxy-2,3-dicyano-phenyl) ester Cyclohexanecarboxylic acid, 4-hexyl-, 2,3-dicyano-4-(pentyloxy)phenyl ester
Wiley ID 1476070