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5-Fluoro-3-trifluoromethylbenzoic acid, hexadecyl ester

View entire compound with spectra: 1 NMR

5-Fluoro-3-trifluoromethylbenzoic acid, hexadecyl ester
SpectraBase Compound ID A12EyHAivEJ
InChI InChI=1S/C24H36F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-23(29)20-17-21(24(26,27)28)19-22(25)18-20/h17-19H,2-16H2,1H3
InChIKey WVDLMBKWGFMLHP-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 2O8kAOoYvPB
Name 5-Fluoro-3-trifluoromethylbenzoic acid, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.265143049 u
Formula C24H36F4O2
InChI InChI=1S/C24H36F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-23(29)20-17-21(24(26,27)28)19-22(25)18-20/h17-19H,2-16H2,1H3
InChIKey WVDLMBKWGFMLHP-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=CC(=C1)F)C(F)(F)F)=O)CCCCCC