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2,3-Dicyano-4-(pentyloxy)phenyl 4-(4-ethylcyclohexyl)benzoate
SpectraBase Compound ID 8UCUbjdgD4w
InChI InChI=1S/C28H32N2O3/c1-3-5-6-17-32-26-15-16-27(25(19-30)24(26)18-29)33-28(31)23-13-11-22(12-14-23)21-9-7-20(4-2)8-10-21/h11-16,20-21H,3-10,17H2,1-2H3
InChIKey HLOVXRFXHHKQOB-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C28H32N2O3
Exact Mass 444.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A3sDUtzk4T
Name 2,3-Dicyano-4-(pentyloxy)phenyl 4-(4-ethylcyclohexyl)benzoate
Alternate Name(s) (2,3-dicyano-4-pentoxy-phenyl) 4-(4-ethylcyclohexyl)benzoate 4-(4-Ethylcyclohexyl)benzoic acid (2,3-dicyano-4-pentoxyphenyl) ester 4-(4-Ethylcyclohexyl)benzoic acid (4-amoxy-2,3-dicyano-phenyl) ester Benzoic acid, 4-(4-ethylcyclohexyl)-, 2,3-dicyano-4-(pentyloxy)phenyl ester
CAS Registry Number 75941-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32N2O3
InChI InChI=1S/C28H32N2O3/c1-3-5-6-17-32-26-15-16-27(25(19-30)24(26)18-29)33-28(31)23-13-11-22(12-14-23)21-9-7-20(4-2)8-10-21/h11-16,20-21H,3-10,17H2,1-2H3
InChIKey HLOVXRFXHHKQOB-UHFFFAOYSA-N
Molecular Weight 444.575 g/mol
SMILES C1C(CCC(CC)C1)c1ccc(cc1)C(=O)Oc1ccc(c(c1C#N)C#N)OCCCCC
SPLASH splash10-014i-1190000000-ef3e668e427513daac0f
Source of Spectrum O-26-146-41
Wiley ID 1386127