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2-Fluoro-3-trifluoromethylbenzoic acid, pentadecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, pentadecyl ester
SpectraBase Compound ID 2huqBX0ALsK
InChI InChI=1S/C23H34F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-29-22(28)19-16-15-17-20(21(19)24)23(25,26)27/h15-17H,2-14,18H2,1H3
InChIKey XZPRUUCBYMBUQG-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 8wlXEGsDof5
Name 2-Fluoro-3-trifluoromethylbenzoic acid, 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-29-22(28)19-16-15-17-20(21(19)24)23(25,26)27/h15-17H,2-14,18H2,1H3
InChIKey XZPRUUCBYMBUQG-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)CCCCC