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4-Fluoro-2-trifluromethylbenzoic acid, 5-pentadecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-2-trifluromethylbenzoic acid, 5-pentadecyl ester
SpectraBase Compound ID Hw7BiNKRoI4
InChI InChI=1S/C23H34F4O2/c1-3-5-7-8-9-10-11-12-14-19(13-6-4-2)29-22(28)20-16-15-18(24)17-21(20)23(25,26)27/h15-17,19H,3-14H2,1-2H3
InChIKey OBIGIWNYMSJFJF-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 EIGBf1jxQDY
Name 4-Fluoro-2-trifluromethylbenzoic 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/c1-3-5-7-8-9-10-11-12-14-19(13-6-4-2)29-22(28)20-16-15-18(24)17-21(20)23(25,26)27/h15-17,19H,3-14H2,1-2H3
InChIKey OBIGIWNYMSJFJF-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C1=C(C(=CC=C1F)C(OC(CCCC)CCCCCCCCCC)=O)C(F)(F)F