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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID 2ohOhEnYwjM
InChI InChI=1S/C18H21F4NO3/c1-2-3-4-10-26-17(25)15-6-5-9-23(15)16(24)13-11-12(18(20,21)22)7-8-14(13)19/h7-8,11,15H,2-6,9-10H2,1H3
InChIKey LSGMWBXLQNXPHD-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 LF5ALudz7cw
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 375.145756189 u
Formula C18H21F4NO3
InChI InChI=1S/C18H21F4NO3/c1-2-3-4-10-26-17(25)15-6-5-9-23(15)16(24)13-11-12(18(20,21)22)7-8-14(13)19/h7-8,11,15H,2-6,9-10H2,1H3
InChIKey LSGMWBXLQNXPHD-UHFFFAOYSA-N
Molecular Weight 375.364 g/mol
SMILES C1=C(C=C(C(=C1)F)C(N1CCCC1C(OCCCCC)=O)=O)C(F)(F)F