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4-Pentylphenyl 4-butylcyclohexanecarboxylate
SpectraBase Compound ID Lqoes4T5jOj
InChI InChI=1S/C22H34O2/c1-3-5-7-9-19-12-16-21(17-13-19)24-22(23)20-14-10-18(11-15-20)8-6-4-2/h12-13,16-18,20H,3-11,14-15H2,1-2H3
InChIKey DKCNOTQUELVMHN-UHFFFAOYSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48IeH8rUqu
Name 4-Pentylphenyl 4-butylcyclohexanecarboxylate
Alternate Name(s) (4-pentylphenyl) 4-butylcyclohexane-1-carboxylate 4-Butyl-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester 4-Butylcyclohexanecarboxylic acid (4-amylphenyl) ester Cyclohexanecarboxylic acid, 4-butyl-, 4-pentylphenyl ester
CAS Registry Number 70602-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-3-5-7-9-19-12-16-21(17-13-19)24-22(23)20-14-10-18(11-15-20)8-6-4-2/h12-13,16-18,20H,3-11,14-15H2,1-2H3
InChIKey DKCNOTQUELVMHN-UHFFFAOYSA-N
Molecular Weight 330.512 g/mol
SMILES c1c(ccc(OC(C2CCC(CCCC)CC2)=O)c1)CCCCC
SPLASH splash10-0a59-9500000000-938cbbad0bc493669c62
Wiley ID 1476059