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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester
SpectraBase Compound ID H5S30h498bi
InChI InChI=1S/C17H19F4NO3/c1-2-3-9-25-16(24)14-5-4-8-22(14)15(23)12-10-11(17(19,20)21)6-7-13(12)18/h6-7,10,14H,2-5,8-9H2,1H3
InChIKey QBVVVVSUDMALMO-UHFFFAOYSA-N
Mol Weight 361.34 g/mol
Molecular Formula C17H19F4NO3
Exact Mass 361.130106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OBtwNE02Ep
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 361.130106125 u
Formula C17H19F4NO3
InChI InChI=1S/C17H19F4NO3/c1-2-3-9-25-16(24)14-5-4-8-22(14)15(23)12-10-11(17(19,20)21)6-7-13(12)18/h6-7,10,14H,2-5,8-9H2,1H3
InChIKey QBVVVVSUDMALMO-UHFFFAOYSA-N
Molecular Weight 361.337 g/mol
SMILES C1=C(C=C(C(=C1)F)C(N1CCCC1C(OCCCC)=O)=O)C(F)(F)F