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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 7a2lIpuxr6l
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-10-14-32-23(31)21-12-11-13-29(21)22(30)18-15-19(24(26,27)28)17-20(25)16-18/h15-17,21H,2-14H2,1H3
InChIKey JBFDRYVSFGWNII-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H33F4NO3
Exact Mass 459.239657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1Y326xD8xN
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.239656576 u
Formula C24H33F4NO3
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-10-14-32-23(31)21-12-11-13-29(21)22(30)18-15-19(24(26,27)28)17-20(25)16-18/h15-17,21H,2-14H2,1H3
InChIKey JBFDRYVSFGWNII-UHFFFAOYSA-N
Molecular Weight 459.526 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O)C(F)(F)F