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L-Proline, N-(3-trifluoromethylbenzoyl)-, heptyl ester
SpectraBase Compound ID 2sLidg8rn8f
InChI InChI=1S/C20H26F3NO3/c1-2-3-4-5-6-13-27-19(26)17-11-8-12-24(17)18(25)15-9-7-10-16(14-15)20(21,22)23/h7,9-10,14,17H,2-6,8,11-13H2,1H3
InChIKey FXAKEAVXWUQIME-UHFFFAOYSA-N
Mol Weight 385.43 g/mol
Molecular Formula C20H26F3NO3
Exact Mass 385.186478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrMzqjQMA70
Name L-Proline, N-(3-trifluoromethylbenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.186478187 u
Formula C20H26F3NO3
InChI InChI=1S/C20H26F3NO3/c1-2-3-4-5-6-13-27-19(26)17-11-8-12-24(17)18(25)15-9-7-10-16(14-15)20(21,22)23/h7,9-10,14,17H,2-6,8,11-13H2,1H3
InChIKey FXAKEAVXWUQIME-UHFFFAOYSA-N
Molecular Weight 385.427 g/mol
SMILES C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCCCCC)=O)C(F)(F)F