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L-Prolyl-L-proline, N-pentafluoropropionyl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Prolyl-L-proline, N-pentafluoropropionyl-, heptyl ester
SpectraBase Compound ID GgQI5wfPdgQ
InChI InChI=1S/C20H29F5N2O4/c1-2-3-4-5-6-13-31-17(29)15-10-8-11-26(15)16(28)14-9-7-12-27(14)18(30)19(21,22)20(23,24)25/h14-15H,2-13H2,1H3
InChIKey SGWUKJBVZKMXGD-UHFFFAOYSA-N
Mol Weight 456.45 g/mol
Molecular Formula C20H29F5N2O4
Exact Mass 456.204748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNkjVzFqwNL
Name L-Prolyl-L-proline, N-pentafluoropropionyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.204748233 u
Formula C20H29F5N2O4
InChI InChI=1S/C20H29F5N2O4/c1-2-3-4-5-6-13-31-17(29)15-10-8-11-26(15)16(28)14-9-7-12-27(14)18(30)19(21,22)20(23,24)25/h14-15H,2-13H2,1H3
InChIKey SGWUKJBVZKMXGD-UHFFFAOYSA-N
Molecular Weight 456.454 g/mol
SMILES CCCCCCCOC(=O)C1N(C(C2N(C(C(C(F)(F)F)(F)F)=O)CCC2)=O)CCC1