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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester
SpectraBase Compound ID Kv4uthG9t9w
InChI InChI=1S/C16H17F4NO3/c1-2-9-24-15(23)12-7-4-8-21(12)14(22)10-5-3-6-11(13(10)17)16(18,19)20/h3,5-6,12H,2,4,7-9H2,1H3
InChIKey JCMLXVHCASNOGD-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 28Mq6LD030u
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.114456060 u
Formula C16H17F4NO3
InChI InChI=1S/C16H17F4NO3/c1-2-9-24-15(23)12-7-4-8-21(12)14(22)10-5-3-6-11(13(10)17)16(18,19)20/h3,5-6,12H,2,4,7-9H2,1H3
InChIKey JCMLXVHCASNOGD-UHFFFAOYSA-N
Molecular Weight 347.310 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(OCCC)=O)=O