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

View entire compound with spectra: 1 NMR

L-Proline, N-(pentafluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID UGycrHceLk
InChI InChI=1S/C28H40F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-37-28(36)20-17-16-18-34(20)27(35)21-22(29)24(31)26(33)25(32)23(21)30/h20H,2-19H2,1H3
InChIKey JHUJFUJCKXLYQE-UHFFFAOYSA-N
Mol Weight 533.6 g/mol
Molecular Formula C28H40F5NO3
Exact Mass 533.292835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IckHSRXoekK
Name L-Proline, N-(pentafluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 533.292834964 u
Formula C28H40F5NO3
InChI InChI=1S/C28H40F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-37-28(36)20-17-16-18-34(20)27(35)21-22(29)24(31)26(33)25(32)23(21)30/h20H,2-19H2,1H3
InChIKey JHUJFUJCKXLYQE-UHFFFAOYSA-N
Molecular Weight 533.624 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O