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3-Fluorophenyl 4-(4-propylcyclohexyl)benzoate
SpectraBase Compound ID 3OiRmxxNl3k
InChI InChI=1S/C22H25FO2/c1-2-4-16-7-9-17(10-8-16)18-11-13-19(14-12-18)22(24)25-21-6-3-5-20(23)15-21/h3,5-6,11-17H,2,4,7-10H2,1H3
InChIKey XQLDYDZJSLTKSN-UHFFFAOYSA-N
Mol Weight 340.44 g/mol
Molecular Formula C22H25FO2
Exact Mass 340.183858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9yGauPegRZ
Name 3-Fluorophenyl 4-(4-propylcyclohexyl)benzoate
CAS Registry Number 87592-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25FO2
InChI InChI=1S/C22H25FO2/c1-2-4-16-7-9-17(10-8-16)18-11-13-19(14-12-18)22(24)25-21-6-3-5-20(23)15-21/h3,5-6,11-17H,2,4,7-10H2,1H3
InChIKey XQLDYDZJSLTKSN-UHFFFAOYSA-N
Molecular Weight 340.438 g/mol
SMILES c1cc(OC(c2ccc(C3CCC(CCC)CC3)cc2)=O)cc(c1)F
SPLASH splash10-004i-6590000000-f9781046cf66f500b770
Synonyms 4-(4-propylcyclohexyl)benzoic acid (3-fluorophenyl) ester Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester
Wiley ID 1476040