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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester
SpectraBase Compound ID CmUKlu3oQV0
InChI InChI=1S/C15H15F4NO3/c1-2-23-14(22)12-4-3-7-20(12)13(21)10-8-9(15(17,18)19)5-6-11(10)16/h5-6,8,12H,2-4,7H2,1H3
InChIKey XAFOMHJOAVJZJQ-UHFFFAOYSA-N
Mol Weight 333.28 g/mol
Molecular Formula C15H15F4NO3
Exact Mass 333.098806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeheQFnZRHu
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.098805996 u
Formula C15H15F4NO3
InChI InChI=1S/C15H15F4NO3/c1-2-23-14(22)12-4-3-7-20(12)13(21)10-8-9(15(17,18)19)5-6-11(10)16/h5-6,8,12H,2-4,7H2,1H3
InChIKey XAFOMHJOAVJZJQ-UHFFFAOYSA-N
Molecular Weight 333.283 g/mol
SMILES C1=C(C(=CC(=C1)C(F)(F)F)C(N1CCCC1C(=O)OCC)=O)F