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2-Fluoro-6-trifluoromethylbenzoic acid, 3-tetradecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-6-trifluoromethylbenzoic acid, 3-tetradecyl ester
SpectraBase Compound ID 62PNb3TMd4p
InChI InChI=1S/C22H32F4O2/c1-3-5-6-7-8-9-10-11-12-14-17(4-2)28-21(27)20-18(22(24,25)26)15-13-16-19(20)23/h13,15-17H,3-12,14H2,1-2H3
InChIKey XQISDEATPJUYKF-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 92Hf0kwaHEE
Name 2-Fluoro-6-trifluoromethylbenzoic acid, 3-tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.233842920 u
Formula C22H32F4O2
InChI InChI=1S/C22H32F4O2/c1-3-5-6-7-8-9-10-11-12-14-17(4-2)28-21(27)20-18(22(24,25)26)15-13-16-19(20)23/h13,15-17H,3-12,14H2,1-2H3
InChIKey XQISDEATPJUYKF-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C1(=C(C=CC=C1C(F)(F)F)F)C(OC(CC)CCCCCCCCCCC)=O