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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID HJceILbhaG1
InChI InChI=1S/C22H30F3NO3/c1-2-3-4-5-6-7-10-16-29-21(28)19-14-11-15-26(19)20(27)17-12-8-9-13-18(17)22(23,24)25/h8-9,12-13,19H,2-7,10-11,14-16H2,1H3
InChIKey CSQJMLJWBXXMOT-UHFFFAOYSA-N
Mol Weight 413.48 g/mol
Molecular Formula C22H30F3NO3
Exact Mass 413.217778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4JLkn0NuDo
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.217778316 u
Formula C22H30F3NO3
InChI InChI=1S/C22H30F3NO3/c1-2-3-4-5-6-7-10-16-29-21(28)19-14-11-15-26(19)20(27)17-12-8-9-13-18(17)22(23,24)25/h8-9,12-13,19H,2-7,10-11,14-16H2,1H3
InChIKey CSQJMLJWBXXMOT-UHFFFAOYSA-N
Molecular Weight 413.481 g/mol
SMILES C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCCCC)=O)C(F)(F)F