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L-Proline, N-(2-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID 9OGEqj3TaQQ
InChI InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-7-8-11-17-30-22(29)20-15-12-16-27(20)21(28)18-13-9-10-14-19(18)23(24,25)26/h9-10,13-14,20H,2-8,11-12,15-17H2,1H3
InChIKey FXQPADZRYZPKCG-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C23H32F3NO3
Exact Mass 427.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rXHgtW58DY
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.233428380 u
Formula C23H32F3NO3
InChI InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-7-8-11-17-30-22(29)20-15-12-16-27(20)21(28)18-13-9-10-14-19(18)23(24,25)26/h9-10,13-14,20H,2-8,11-12,15-17H2,1H3
InChIKey FXQPADZRYZPKCG-UHFFFAOYSA-N
Molecular Weight 427.508 g/mol
SMILES C1(=C(C=CC=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCC)=O