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(1-pentyl-4-bicyclo[2.2.2]octanyl) 4-(3-pentylcyclopentyl)benzoate

View entire compound with spectra: 1 MS (GC)

(1-pentyl-4-bicyclo[2.2.2]octanyl) 4-(3-pentylcyclopentyl)benzoate
SpectraBase Compound ID 7NNagBMbVTh
InChI InChI=1S/C30H46O2/c1-3-5-7-9-24-10-11-27(23-24)25-12-14-26(15-13-25)28(31)32-30-20-17-29(18-21-30,19-22-30)16-8-6-4-2/h12-15,24,27H,3-11,16-23H2,1-2H3
InChIKey JZPQIYXDOXZYNN-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C30H46O2
Exact Mass 438.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClSim6clBHE
Name (1-pentyl-4-bicyclo[2.2.2]octanyl) 4-(3-pentylcyclopentyl)benzoate
Alternate Name(s) 4-(3-amylcyclopentyl)benzoic acid (1-amyl-4-bicyclo[2.2.2]octanyl) ester 4-(3-pentylcyclopentyl)benzoic acid (1-pentyl-4-bicyclo[2.2.2]octanyl) ester
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Formula C30H46O2
InChI InChI=1S/C30H46O2/c1-3-5-7-9-24-10-11-27(23-24)25-12-14-26(15-13-25)28(31)32-30-20-17-29(18-21-30,19-22-30)16-8-6-4-2/h12-15,24,27H,3-11,16-23H2,1-2H3
InChIKey JZPQIYXDOXZYNN-UHFFFAOYSA-N
Molecular Weight 438.696 g/mol
SMILES C12(CCC(CC2)(CC1)OC(=O)c1ccc(cc1)C1CC(CC1)CCCCC)CCCCC
SPLASH splash10-0006-9520000000-efdb967359af873d277e
Wiley ID 1438566