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4-Fluoro-2-trifluromethylbenzoic acid, 3-tetradecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-2-trifluromethylbenzoic acid, 3-tetradecyl ester
SpectraBase Compound ID 58KC8aQYpA6
InChI InChI=1S/C22H32F4O2/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)28-21(27)19-15-14-17(23)16-20(19)22(24,25)26/h14-16,18H,3-13H2,1-2H3
InChIKey DITMAWHOIJHRHE-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 BHcI53uD249
Name 4-Fluoro-2-trifluromethylbenzoic acid, 3-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/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)28-21(27)19-15-14-17(23)16-20(19)22(24,25)26/h14-16,18H,3-13H2,1-2H3
InChIKey DITMAWHOIJHRHE-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C1=C(C(=CC=C1F)C(OC(CC)CCCCCCCCCCC)=O)C(F)(F)F