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

View entire compound with spectra: 1 NMR

L-Prolyl-L-proline, N-pentafluoropropionyl-, hexyl ester
SpectraBase Compound ID 8cIEGi7fXlT
InChI InChI=1S/C19H27F5N2O4/c1-2-3-4-5-12-30-16(28)14-9-7-10-25(14)15(27)13-8-6-11-26(13)17(29)18(20,21)19(22,23)24/h13-14H,2-12H2,1H3
InChIKey IYESIWQZWONAMY-UHFFFAOYSA-N
Mol Weight 442.43 g/mol
Molecular Formula C19H27F5N2O4
Exact Mass 442.189098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCtVdr4KHK1
Name L-Prolyl-L-proline, N-pentafluoropropionyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.189098168 u
Formula C19H27F5N2O4
InChI InChI=1S/C19H27F5N2O4/c1-2-3-4-5-12-30-16(28)14-9-7-10-25(14)15(27)13-8-6-11-26(13)17(29)18(20,21)19(22,23)24/h13-14H,2-12H2,1H3
InChIKey IYESIWQZWONAMY-UHFFFAOYSA-N
Molecular Weight 442.427 g/mol
SMILES CCCCCCOC(C1N(C(C2N(C(C(C(F)(F)F)(F)F)=O)CCC2)=O)CCC1)=O