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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID BTjCG04GaT8
InChI InChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-9-12-18-31-23(30)21-16-13-17-28(21)22(29)19-14-10-11-15-20(19)24(25,26)27/h10-11,14-15,21H,2-9,12-13,16-18H2,1H3
InChIKey LOOWOWQQZZEYSU-UHFFFAOYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C24H34F3NO3
Exact Mass 441.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeyoRfe0nor
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.249078445 u
Formula C24H34F3NO3
InChI InChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-9-12-18-31-23(30)21-16-13-17-28(21)22(29)19-14-10-11-15-20(19)24(25,26)27/h10-11,14-15,21H,2-9,12-13,16-18H2,1H3
InChIKey LOOWOWQQZZEYSU-UHFFFAOYSA-N
Molecular Weight 441.535 g/mol
SMILES C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O)C(F)(F)F