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5-Fluoro-2-trifluoromethylbenzoic acid, hexadecyl ester

View entire compound with spectra: 1 NMR

5-Fluoro-2-trifluoromethylbenzoic acid, hexadecyl ester
SpectraBase Compound ID LhG8MCXvXMb
InChI InChI=1S/C24H36F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(29)21-19-20(25)16-17-22(21)24(26,27)28/h16-17,19H,2-15,18H2,1H3
InChIKey MPTZSUQSJYLNQL-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 3tzziefD6wx
Name 5-Fluoro-2-trifluoromethylbenzoic acid, 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(29)21-19-20(25)16-17-22(21)24(26,27)28/h16-17,19H,2-15,18H2,1H3
InChIKey MPTZSUQSJYLNQL-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C=CC(=C1)F)C(F)(F)F)=O)CCCCCC