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2-Fluoro-5-trifluoromethylbenzoic acid, tetradecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-5-trifluoromethylbenzoic acid, tetradecyl ester
SpectraBase Compound ID H2PgzdKr5bg
InChI InChI=1S/C22H32F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-21(27)19-17-18(22(24,25)26)14-15-20(19)23/h14-15,17H,2-13,16H2,1H3
InChIKey AKQBKENWYYVIFJ-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 53RXhvQF97D
Name 2-Fluoro-5-trifluoromethylbenzoic acid, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.233842920 u
Formula C22H32F4O2
InChI InChI=1S/C22H32F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-21(27)19-17-18(22(24,25)26)14-15-20(19)23/h14-15,17H,2-13,16H2,1H3
InChIKey AKQBKENWYYVIFJ-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=CC=C1F)C(F)(F)F)=O)CCCC