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4-Propylphenyl 4-butylcyclohexanecarboxylate

View entire compound with spectra: 3 MS (GC)

4-Propylphenyl 4-butylcyclohexanecarboxylate
SpectraBase Compound ID 1i2fWKozARH
InChI InChI=1S/C20H30O2/c1-3-5-7-17-8-12-18(13-9-17)20(21)22-19-14-10-16(6-4-2)11-15-19/h10-11,14-15,17-18H,3-9,12-13H2,1-2H3
InChIKey ZMYWQRQTUKPLRA-UHFFFAOYSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72CTUJRfLmD
Name 4-Propylphenyl 4-butylcyclohexanecarboxylate
CAS Registry Number 89356-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-3-5-7-17-8-12-18(13-9-17)20(21)22-19-14-10-16(6-4-2)11-15-19/h10-11,14-15,17-18H,3-9,12-13H2,1-2H3
InChIKey ZMYWQRQTUKPLRA-UHFFFAOYSA-N
Molecular Weight 302.458 g/mol
SMILES c1c(ccc(OC(C2CCC(CCCC)CC2)=O)c1)CCC
SPLASH splash10-0api-9400000000-e2e8ebebd14475f427ee
Synonyms (4-propylphenyl) 4-butylcyclohexane-1-carboxylate 4-Butyl-1-cyclohexanecarboxylic acid (4-propylphenyl) ester 4-Butylcyclohexanecarboxylic acid (4-propylphenyl) ester Cyclohexanecarboxylic acid, 4-butyl-, 4-propylphenyl ester
Wiley ID 1476061