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5-Fluoro-2-trifluoromethylbenzoic acid, 2-tetradecyl ester

View entire compound with spectra: 1 NMR

5-Fluoro-2-trifluoromethylbenzoic acid, 2-tetradecyl ester
SpectraBase Compound ID CC6Mg0spErF
InChI InChI=1S/C22H32F4O2/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)28-21(27)19-16-18(23)14-15-20(19)22(24,25)26/h14-17H,3-13H2,1-2H3
InChIKey XHFKNWAJPXTXRS-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32F4O2
Exact Mass 404.233843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KoYJwroKtzd
Name 5-Fluoro-2-trifluoromethylbenzoic acid, 2-tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.233842920 u
Formula C22H32F4O2
InChI InChI=1S/C22H32F4O2/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)28-21(27)19-16-18(23)14-15-20(19)22(24,25)26/h14-17H,3-13H2,1-2H3
InChIKey XHFKNWAJPXTXRS-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C1=C(C(=CC(=C1)F)C(OC(C)CCCCCCCCCCCC)=O)C(F)(F)F