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L-Proline, N-pentafluoropropionyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-pentafluoropropionyl-, heptadecyl ester
SpectraBase Compound ID GGfaVwsSq4N
InChI InChI=1S/C25H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34-22(32)21-18-17-19-31(21)23(33)24(26,27)25(28,29)30/h21H,2-20H2,1H3
InChIKey OZWXRJTVTNJQOS-UHFFFAOYSA-N
Mol Weight 499.6 g/mol
Molecular Formula C25H42F5NO3
Exact Mass 499.308485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Mb5UMSzAhO
Name L-Proline, N-pentafluoropropionyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 499.308485028 u
Formula C25H42F5NO3
InChI InChI=1S/C25H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34-22(32)21-18-17-19-31(21)23(33)24(26,27)25(28,29)30/h21H,2-20H2,1H3
InChIKey OZWXRJTVTNJQOS-UHFFFAOYSA-N
Molecular Weight 499.607 g/mol
SMILES C1CC(C(=O)OCCCCCCCCCCCCCCCCC)N(C1)C(C(C(F)(F)F)(F)F)=O