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3-Fluoro-5-trifluoromethylbenzoic acid, 5-pentadecyl ester

View entire compound with spectra: 1 NMR

3-Fluoro-5-trifluoromethylbenzoic acid, 5-pentadecyl ester
SpectraBase Compound ID DquBnVGvncx
InChI InChI=1S/C23H34F4O2/c1-3-5-7-8-9-10-11-12-14-21(13-6-4-2)29-22(28)18-15-19(23(25,26)27)17-20(24)16-18/h15-17,21H,3-14H2,1-2H3
InChIKey ZSVZLUKVDNMUFM-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 5YtfGP2jFwO
Name 3-Fluoro-5-trifluoromethylbenzoic acid, 5-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/c1-3-5-7-8-9-10-11-12-14-21(13-6-4-2)29-22(28)18-15-19(23(25,26)27)17-20(24)16-18/h15-17,21H,3-14H2,1-2H3
InChIKey ZSVZLUKVDNMUFM-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C1(=CC(=CC(=C1)C(F)(F)F)C(OC(CCCC)CCCCCCCCCC)=O)F