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2-Fluoro-5-trifluoromethylbenzoic acid, 4-hexadecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-5-trifluoromethylbenzoic acid, 4-hexadecyl ester
SpectraBase Compound ID Ln9Irn7vC0d
InChI InChI=1S/C24H36F4O2/c1-3-5-6-7-8-9-10-11-12-13-15-20(14-4-2)30-23(29)21-18-19(24(26,27)28)16-17-22(21)25/h16-18,20H,3-15H2,1-2H3
InChIKey ATPWLYPVGZQAAG-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 2MJ5H5MgPOa
Name 2-Fluoro-5-trifluoromethylbenzoic acid, 4-hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.265143049 u
Formula C24H36F4O2
InChI InChI=1S/C24H36F4O2/c1-3-5-6-7-8-9-10-11-12-13-15-20(14-4-2)30-23(29)21-18-19(24(26,27)28)16-17-22(21)25/h16-18,20H,3-15H2,1-2H3
InChIKey ATPWLYPVGZQAAG-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C1(=CC(=CC=C1F)C(F)(F)F)C(OC(CCC)CCCCCCCCCCCC)=O