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L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester
SpectraBase Compound ID K82IWeZIPwG
InChI InChI=1S/C16H17F4NO3/c1-2-8-24-15(23)13-4-3-7-21(13)14(22)11-9-10(16(18,19)20)5-6-12(11)17/h5-6,9,13H,2-4,7-8H2,1H3
InChIKey DUYSAQOMJBJDHW-UHFFFAOYSA-N
Mol Weight 347.31 g/mol
Molecular Formula C16H17F4NO3
Exact Mass 347.114456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35gp6i73Qd7
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.114456060 u
Formula C16H17F4NO3
InChI InChI=1S/C16H17F4NO3/c1-2-8-24-15(23)13-4-3-7-21(13)14(22)11-9-10(16(18,19)20)5-6-12(11)17/h5-6,9,13H,2-4,7-8H2,1H3
InChIKey DUYSAQOMJBJDHW-UHFFFAOYSA-N
Molecular Weight 347.310 g/mol
SMILES C1=C(C=C(C(=C1)F)C(N1CCCC1C(OCCC)=O)=O)C(F)(F)F