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L-Leucyl-L-leucine, N-pentafluoropropionyl-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-pentafluoropropionyl-, octadecyl ester
SpectraBase Compound ID CIqvtGIl1y9
InChI InChI=1S/C33H59F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-44-30(42)28(24-26(4)5)39-29(41)27(23-25(2)3)40-31(43)32(34,35)33(36,37)38/h25-28H,6-24H2,1-5H3,(H,39,41)(H,40,43)
InChIKey AZGXAXROBQOMEW-UHFFFAOYSA-N
Mol Weight 642.8 g/mol
Molecular Formula C33H59F5N2O4
Exact Mass 642.439499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4pqpebk3d0
Name L-Leucyl-L-leucine, N-pentafluoropropionyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 642.439499199 u
Formula C33H59F5N2O4
InChI InChI=1S/C33H59F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-44-30(42)28(24-26(4)5)39-29(41)27(23-25(2)3)40-31(43)32(34,35)33(36,37)38/h25-28H,6-24H2,1-5H3,(H,39,41)(H,40,43)
InChIKey AZGXAXROBQOMEW-UHFFFAOYSA-N
Molecular Weight 642.837 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)CC(C)C)=O)CC(C)C)=O