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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID LVz192GQwnl
InChI InChI=1S/C18H22F3NO3/c1-2-3-6-12-25-17(24)15-10-7-11-22(15)16(23)13-8-4-5-9-14(13)18(19,20)21/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKey GNTBOZPIRRPWTA-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 BvbNxPJF4YF
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 357.155178058 u
Formula C18H22F3NO3
InChI InChI=1S/C18H22F3NO3/c1-2-3-6-12-25-17(24)15-10-7-11-22(15)16(23)13-8-4-5-9-14(13)18(19,20)21/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKey GNTBOZPIRRPWTA-UHFFFAOYSA-N
Molecular Weight 357.373 g/mol
SMILES C1(=C(C=CC=C1)C(F)(F)F)C(N1CCCC1C(OCCCCC)=O)=O