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L-Proline, N-(pentafluorobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, undecyl ester
SpectraBase Compound ID FHim5AsE4F6
InChI InChI=1S/C23H30F5NO3/c1-2-3-4-5-6-7-8-9-10-14-32-23(31)15-12-11-13-29(15)22(30)16-17(24)19(26)21(28)20(27)18(16)25/h15H,2-14H2,1H3
InChIKey QNDKTRHRZMPDRZ-UHFFFAOYSA-N
Mol Weight 463.49 g/mol
Molecular Formula C23H30F5NO3
Exact Mass 463.214585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59UmwngOeFQ
Name L-Proline, N-(pentafluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.214584642 u
Formula C23H30F5NO3
InChI InChI=1S/C23H30F5NO3/c1-2-3-4-5-6-7-8-9-10-14-32-23(31)15-12-11-13-29(15)22(30)16-17(24)19(26)21(28)20(27)18(16)25/h15H,2-14H2,1H3
InChIKey QNDKTRHRZMPDRZ-UHFFFAOYSA-N
Molecular Weight 463.489 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O