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6-Fluoro-2-trifluoromethylbenzoic acid, pentadecyl ester

View entire compound with spectra: 1 NMR

6-Fluoro-2-trifluoromethylbenzoic acid, pentadecyl ester
SpectraBase Compound ID 6AqIb3AhLeK
InChI InChI=1S/C23H34F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-29-22(28)21-19(23(25,26)27)16-15-17-20(21)24/h15-17H,2-14,18H2,1H3
InChIKey HTQKBGGJQYJFOD-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C23H34F4O2
Exact Mass 418.249493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AV8mzA5ZFzG
Name 6-Fluoro-2-trifluoromethylbenzoic acid, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.249492985 u
Formula C23H34F4O2
InChI InChI=1S/C23H34F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-29-22(28)21-19(23(25,26)27)16-15-17-20(21)24/h15-17H,2-14,18H2,1H3
InChIKey HTQKBGGJQYJFOD-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C=CC=C1C(F)(F)F)F)=O)CCCCC