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L-Proline, N-(3-trifluoromethylbenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID JotcVnaKMKu
InChI InChI=1S/C18H22F3NO3/c1-2-3-4-11-25-17(24)15-9-6-10-22(15)16(23)13-7-5-8-14(12-13)18(19,20)21/h5,7-8,12,15H,2-4,6,9-11H2,1H3
InChIKey XMNJUYZMZRKYOG-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C18H22F3NO3
Exact Mass 357.155178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3d6jAA5AYq6
Name L-Proline, N-(3-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 357.155178058 u
Formula C18H22F3NO3
InChI InChI=1S/C18H22F3NO3/c1-2-3-4-11-25-17(24)15-9-6-10-22(15)16(23)13-7-5-8-14(12-13)18(19,20)21/h5,7-8,12,15H,2-4,6,9-11H2,1H3
InChIKey XMNJUYZMZRKYOG-UHFFFAOYSA-N
Molecular Weight 357.373 g/mol
SMILES C1(=CC=CC(=C1)C(N1CCCC1C(OCCCCC)=O)=O)C(F)(F)F