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2-Fluoro-6-trifluoromethylbenzoic acid, 2-pentadecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-6-trifluoromethylbenzoic acid, 2-pentadecyl ester
SpectraBase Compound ID F5nIx2IB4sz
InChI InChI=1S/C23H34F4O2/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)29-22(28)21-19(23(25,26)27)16-14-17-20(21)24/h14,16-18H,3-13,15H2,1-2H3
InChIKey WKQOJRNGTKEECW-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 LdA5S27IhUO
Name 2-Fluoro-6-trifluoromethylbenzoic acid, 2-pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.249492985 u
Formula C23H34F4O2
InChI InChI=1S/C23H34F4O2/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)29-22(28)21-19(23(25,26)27)16-14-17-20(21)24/h14,16-18H,3-13,15H2,1-2H3
InChIKey WKQOJRNGTKEECW-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C1(=C(C=CC=C1C(F)(F)F)F)C(OC(C)CCCCCCCCCCCCC)=O