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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID B6QIUgUfOMb
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-10-17-32-23(31)20-15-12-16-29(20)22(30)18-13-11-14-19(21(18)25)24(26,27)28/h11,13-14,20H,2-10,12,15-17H2,1H3
InChIKey FGSIXHPINYQYNW-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 5ADDW5GCkiv
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.239656576 u
Formula C24H33F4NO3
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-10-17-32-23(31)20-15-12-16-29(20)22(30)18-13-11-14-19(21(18)25)24(26,27)28/h11,13-14,20H,2-10,12,15-17H2,1H3
InChIKey FGSIXHPINYQYNW-UHFFFAOYSA-N
Molecular Weight 459.526 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O