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

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, 3-hexadecyl ester
SpectraBase Compound ID TbHTcF6zUm
InChI InChI=1S/C24H36F4O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(4-2)30-23(29)20-17-15-18-21(22(20)25)24(26,27)28/h15,17-19H,3-14,16H2,1-2H3
InChIKey QHQWVHABXBKBRU-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 K1hxCY9ITt9
Name 2-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/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(4-2)30-23(29)20-17-15-18-21(22(20)25)24(26,27)28/h15,17-19H,3-14,16H2,1-2H3
InChIKey QHQWVHABXBKBRU-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C1(=C(C=CC=C1C(OC(CC)CCCCCCCCCCCCC)=O)C(F)(F)F)F