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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID JP5iqaBunjq
InChI InChI=1S/C22H29F4NO3/c1-2-3-4-5-6-7-8-12-30-21(29)19-10-9-11-27(19)20(28)16-13-17(22(24,25)26)15-18(23)14-16/h13-15,19H,2-12H2,1H3
InChIKey LAWPBVJRHIQOGD-UHFFFAOYSA-N
Mol Weight 431.47 g/mol
Molecular Formula C22H29F4NO3
Exact Mass 431.208356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TsBsVJ9rA
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.208356447 u
Formula C22H29F4NO3
InChI InChI=1S/C22H29F4NO3/c1-2-3-4-5-6-7-8-12-30-21(29)19-10-9-11-27(19)20(28)16-13-17(22(24,25)26)15-18(23)14-16/h13-15,19H,2-12H2,1H3
InChIKey LAWPBVJRHIQOGD-UHFFFAOYSA-N
Molecular Weight 431.472 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCC)=O)C(F)(F)F