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(4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

View entire compound with spectra: 3 MS (GC)

(4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
SpectraBase Compound ID DUACwVvIS6S
InChI InChI=1S/C22H31FO2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22(24)25-21-14-12-20(23)13-15-21/h12-19H,2-11H2,1H3
InChIKey LIALNGUAWCANCX-UHFFFAOYSA-N
Mol Weight 346.49 g/mol
Molecular Formula C22H31FO2
Exact Mass 346.230808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NCmlAIr44
Name (4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Alternate Name(s) 4-(4-propylcyclohexyl)-1-cyclohexanecarboxylic acid (4-fluorophenyl) ester 4-(4-propylcyclohexyl)cyclohexanecarboxylic acid (4-fluorophenyl) ester [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester
CAS Registry Number 81701-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31FO2
InChI InChI=1S/C22H31FO2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22(24)25-21-14-12-20(23)13-15-21/h12-19H,2-11H2,1H3
InChIKey LIALNGUAWCANCX-UHFFFAOYSA-N
Molecular Weight 346.486 g/mol
SMILES c1c(ccc(OC(C2CCC(C3CCC(CCC)CC3)CC2)=O)c1)F
SPLASH splash10-0ce9-9510000000-f9b8f29ce840bbdd5ad4
Wiley ID 1476143