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L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 8mdXl3g6qx9
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-10-16-32-23(31)21-12-11-15-29(21)22(30)19-17-18(24(26,27)28)13-14-20(19)25/h13-14,17,21H,2-12,15-16H2,1H3
InChIKey CPGGLCCHKVSVHI-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H33F4NO3
Exact Mass 459.239657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wKHZ8LaoL6
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.239656576 u
Formula C24H33F4NO3
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-10-16-32-23(31)21-12-11-15-29(21)22(30)19-17-18(24(26,27)28)13-14-20(19)25/h13-14,17,21H,2-12,15-16H2,1H3
InChIKey CPGGLCCHKVSVHI-UHFFFAOYSA-N
Molecular Weight 459.526 g/mol
SMILES C1=C(C=CC(=C1C(N1CCCC1C(=O)OCCCCCCCCCCC)=O)F)C(F)(F)F