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4-(4-Propylcyclohexyl)benzoic acid (4-fluorophenyl) ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(4-Propylcyclohexyl)benzoic acid (4-fluorophenyl) ester
SpectraBase Compound ID 2n9uS6neEoY
InChI InChI=1S/C22H25FO2/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/h8-17H,2-7H2,1H3
InChIKey KAMYBEKPILURLI-UHFFFAOYSA-N
Mol Weight 340.44 g/mol
Molecular Formula C22H25FO2
Exact Mass 340.183858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFkTMWZkIZ0
Name 4-(4-Propylcyclohexyl)benzoic acid (4-fluorophenyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.183858206 u
Formula C22H25FO2
InChI InChI=1S/C22H25FO2/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/h8-17H,2-7H2,1H3
InChIKey KAMYBEKPILURLI-UHFFFAOYSA-N
Molecular Weight 340.438 g/mol
SMILES C(OC1=CC=C(C=C1)F)(C1=CC=C(C=C1)C1CCC(CC1)CCC)=O