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

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, 6-pentadecyl ester
SpectraBase Compound ID DLs6LEnaWwM
InChI InChI=1S/C23H34F4O2/c1-3-5-7-8-9-10-12-15-18(14-11-6-4-2)29-22(28)19-16-13-17-20(21(19)24)23(25,26)27/h13,16-18H,3-12,14-15H2,1-2H3
InChIKey MHJPQSXFFIDQIO-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 GhSkyPO31Bn
Name 2-Fluoro-3-trifluoromethylbenzoic acid, 6-pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.249492985 u
Formula C23H34F4O2
InChI InChI=1S/C23H34F4O2/c1-3-5-7-8-9-10-12-15-18(14-11-6-4-2)29-22(28)19-16-13-17-20(21(19)24)23(25,26)27/h13,16-18H,3-12,14-15H2,1-2H3
InChIKey MHJPQSXFFIDQIO-UHFFFAOYSA-N
Molecular Weight 418.517 g/mol
SMILES C1(=C(C(=CC=C1)C(OC(CCCCC)CCCCCCCCC)=O)F)C(F)(F)F