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

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID 5SzlPWJiPqN
InChI InChI=1S/C22H29F4NO3/c1-2-3-4-5-6-7-8-15-30-21(29)18-13-10-14-27(18)20(28)16-11-9-12-17(19(16)23)22(24,25)26/h9,11-12,18H,2-8,10,13-15H2,1H3
InChIKey CYQLFVUWJUBCQT-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 FIxvnUSQuAG
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.208356447 u
Formula C22H29F4NO3
InChI InChI=1S/C22H29F4NO3/c1-2-3-4-5-6-7-8-15-30-21(29)18-13-10-14-27(18)20(28)16-11-9-12-17(19(16)23)22(24,25)26/h9,11-12,18H,2-8,10,13-15H2,1H3
InChIKey CYQLFVUWJUBCQT-UHFFFAOYSA-N
Molecular Weight 431.472 g/mol
SMILES C(N1CCCC1C(=O)OCCCCCCCCC)(=O)C1=CC=CC(=C1F)C(F)(F)F