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

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-heptafluorobutyryl-, octadecyl ester
SpectraBase Compound ID FH9shQNrs6T
InChI InChI=1S/C34H59F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-47-30(45)28(24-26(4)5)42-29(44)27(23-25(2)3)43-31(46)32(35,36)33(37,38)34(39,40)41/h25-28H,6-24H2,1-5H3,(H,42,44)(H,43,46)
InChIKey JQLMEYFGGRSLKG-UHFFFAOYSA-N
Mol Weight 692.8 g/mol
Molecular Formula C34H59F7N2O4
Exact Mass 692.436306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ig2laLDmZx
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 692.436305525 u
Formula C34H59F7N2O4
InChI InChI=1S/C34H59F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-47-30(45)28(24-26(4)5)42-29(44)27(23-25(2)3)43-31(46)32(35,36)33(37,38)34(39,40)41/h25-28H,6-24H2,1-5H3,(H,42,44)(H,43,46)
InChIKey JQLMEYFGGRSLKG-UHFFFAOYSA-N
Molecular Weight 692.845 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O)CC(C)C)=O