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4-Fluoro-3-trifluoromethylbenzoic acid, 7-pentadecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-3-trifluoromethylbenzoic acid, 7-pentadecyl ester
SpectraBase Compound ID FKSJk621sAW
InChI InChI=1S/C23H34F4O2/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)29-22(28)18-15-16-21(24)20(17-18)23(25,26)27/h15-17,19H,3-14H2,1-2H3
InChIKey DIFVXXREBRAWCS-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C23H34F4O2
Exact Mass 418.249493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDWvQrkqI9V
Name 4-Fluoro-3-trifluoromethylbenzoic acid, 7-pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.249492985 u
Formula C23H34F4O2
InChI InChI=1S/C23H34F4O2/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)29-22(28)18-15-16-21(24)20(17-18)23(25,26)27/h15-17,19H,3-14H2,1-2H3
InChIKey DIFVXXREBRAWCS-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C1=CC(=CC(=C1F)C(F)(F)F)C(OC(CCCCCC)CCCCCCCC)=O