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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, ethyl ester
SpectraBase Compound ID 6vsi2BNkj7M
InChI InChI=1S/C15H15F4NO3/c1-2-23-14(22)11-7-4-8-20(11)13(21)9-5-3-6-10(12(9)16)15(17,18)19/h3,5-6,11H,2,4,7-8H2,1H3
InChIKey AIIHFSNLLZDVGM-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 Ev9d9GqlQfv
Name L-Proline, N-(2-fluoro-3-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)11-7-4-8-20(11)13(21)9-5-3-6-10(12(9)16)15(17,18)19/h3,5-6,11H,2,4,7-8H2,1H3
InChIKey AIIHFSNLLZDVGM-UHFFFAOYSA-N
Molecular Weight 333.283 g/mol
SMILES C(C1=CC=CC(=C1F)C(N1CCCC1C(=O)OCC)=O)(F)(F)F