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4-Fluoro-3-trifluoromethylbenzoic acid, 3-hexadecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-3-trifluoromethylbenzoic acid, 3-hexadecyl ester
SpectraBase Compound ID CSnLvQ0VRj6
InChI InChI=1S/C24H36F4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(4-2)30-23(29)19-16-17-22(25)21(18-19)24(26,27)28/h16-18,20H,3-15H2,1-2H3
InChIKey AJBSNESMQNYYKI-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C24H36F4O2
Exact Mass 432.265143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3hIkiqrdfg
Name 4-Fluoro-3-trifluoromethylbenzoic acid, 3-hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.265143049 u
Formula C24H36F4O2
InChI InChI=1S/C24H36F4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(4-2)30-23(29)19-16-17-22(25)21(18-19)24(26,27)28/h16-18,20H,3-15H2,1-2H3
InChIKey AJBSNESMQNYYKI-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C1=CC(=CC(=C1F)C(F)(F)F)C(OC(CC)CCCCCCCCCCCCC)=O