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

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID 6KVG4aybugR
InChI InChI=1S/C23H31F4NO3/c1-2-3-4-5-6-7-8-9-13-31-22(30)20-11-10-12-28(20)21(29)17-14-18(23(25,26)27)16-19(24)15-17/h14-16,20H,2-13H2,1H3
InChIKey CABQGYAMEIVEEY-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C23H31F4NO3
Exact Mass 445.224007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 72QF6Xmkk0q
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 445.224006511 u
Formula C23H31F4NO3
InChI InChI=1S/C23H31F4NO3/c1-2-3-4-5-6-7-8-9-13-31-22(30)20-11-10-12-28(20)21(29)17-14-18(23(25,26)27)16-19(24)15-17/h14-16,20H,2-13H2,1H3
InChIKey CABQGYAMEIVEEY-UHFFFAOYSA-N
Molecular Weight 445.499 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCC)=O)C(F)(F)F