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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID DiWtIG4oiR8
InChI InChI=1S/C18H21F4NO3/c1-2-3-4-11-26-17(25)14-9-6-10-23(14)16(24)12-7-5-8-13(15(12)19)18(20,21)22/h5,7-8,14H,2-4,6,9-11H2,1H3
InChIKey SCMROPLYOMVEHM-UHFFFAOYSA-N
Mol Weight 375.36 g/mol
Molecular Formula C18H21F4NO3
Exact Mass 375.145756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G76596htf27
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 375.145756189 u
Formula C18H21F4NO3
InChI InChI=1S/C18H21F4NO3/c1-2-3-4-11-26-17(25)14-9-6-10-23(14)16(24)12-7-5-8-13(15(12)19)18(20,21)22/h5,7-8,14H,2-4,6,9-11H2,1H3
InChIKey SCMROPLYOMVEHM-UHFFFAOYSA-N
Molecular Weight 375.364 g/mol
SMILES CCCCCOC(C1N(CCC1)C(=O)C1=CC=CC(=C1F)C(F)(F)F)=O