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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester
SpectraBase Compound ID JcL771DogEv
InChI InChI=1S/C17H19F4NO3/c1-2-3-10-25-16(24)13-8-5-9-22(13)15(23)11-6-4-7-12(14(11)18)17(19,20)21/h4,6-7,13H,2-3,5,8-10H2,1H3
InChIKey SGWWGDQGBMQYTM-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 7lAAMJSXFFS
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 361.130106125 u
Formula C17H19F4NO3
InChI InChI=1S/C17H19F4NO3/c1-2-3-10-25-16(24)13-8-5-9-22(13)15(23)11-6-4-7-12(14(11)18)17(19,20)21/h4,6-7,13H,2-3,5,8-10H2,1H3
InChIKey SGWWGDQGBMQYTM-UHFFFAOYSA-N
Molecular Weight 361.337 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(OCCCC)=O)=O