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(4-pentylphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
SpectraBase Compound ID 6kRFn8h6jy0
InChI InChI=1S/C29H46O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h13-14,21-23,25-27H,3-12,15-20H2,1-2H3
InChIKey DPURCQCAESWWEL-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO0EQYBNRRU
Name (4-pentylphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CAS Registry Number 90937-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h13-14,21-23,25-27H,3-12,15-20H2,1-2H3
InChIKey DPURCQCAESWWEL-UHFFFAOYSA-N
Molecular Weight 426.685 g/mol
SMILES c1c(ccc(OC(C2CCC(C3CCC(CCCCC)CC3)CC2)=O)c1)CCCCC
SPLASH splash10-05ns-9510000000-cdc2766e2c4ddb047fa6
Source of Spectrum O-26-144-27
Synonyms 4-(4-amylcyclohexyl)cyclohexanecarboxylic acid (4-amylphenyl) ester 4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester
Wiley ID 1380157