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2-Fluoro-3-trifluoromethylbenzoic acid, tetradecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, tetradecyl ester
SpectraBase Compound ID 4LpZWh5wqlH
InChI InChI=1S/C22H32F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-28-21(27)18-15-14-16-19(20(18)23)22(24,25)26/h14-16H,2-13,17H2,1H3
InChIKey IAMBHQYIUHPEOZ-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 7a0vR8ow5T9
Name 2-Fluoro-3-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)18-15-14-16-19(20(18)23)22(24,25)26/h14-16H,2-13,17H2,1H3
InChIKey IAMBHQYIUHPEOZ-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)CCCC