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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID AzbDAlw8hQ3
InChI InChI=1S/C23H31F4NO3/c1-2-3-4-5-6-7-8-9-16-31-22(30)19-14-11-15-28(19)21(29)17-12-10-13-18(20(17)24)23(25,26)27/h10,12-13,19H,2-9,11,14-16H2,1H3
InChIKey SCZTYWUDNCMJLK-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C23H31F4NO3
Exact Mass 445.224007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKAIx5IsRUC
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 445.224006511 u
Formula C23H31F4NO3
InChI InChI=1S/C23H31F4NO3/c1-2-3-4-5-6-7-8-9-16-31-22(30)19-14-11-15-28(19)21(29)17-12-10-13-18(20(17)24)23(25,26)27/h10,12-13,19H,2-9,11,14-16H2,1H3
InChIKey SCZTYWUDNCMJLK-UHFFFAOYSA-N
Molecular Weight 445.499 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCC)=O