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6-Fluoro-2-trifluoromethylbenzoic acid, tetradecyl ester

View entire compound with spectra: 1 NMR

6-Fluoro-2-trifluoromethylbenzoic acid, tetradecyl ester
SpectraBase Compound ID KjOrCBzo2Rh
InChI InChI=1S/C22H32F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-28-21(27)20-18(22(24,25)26)15-14-16-19(20)23/h14-16H,2-13,17H2,1H3
InChIKey ATTCUQBRTAYFKS-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32F4O2
Exact Mass 404.233843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 857VleMAjcI
Name 6-Fluoro-2-trifluoromethylbenzoic acid, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.233842920 u
Formula C22H32F4O2
InChI InChI=1S/C22H32F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-28-21(27)20-18(22(24,25)26)15-14-16-19(20)23/h14-16H,2-13,17H2,1H3
InChIKey ATTCUQBRTAYFKS-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C=CC=C1C(F)(F)F)F)=O)CCCC