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

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-heptafluorobutyryl-, pentadecyl ester
SpectraBase Compound ID 60WkORYKhpO
InChI InChI=1S/C31H53F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-44-27(42)25(21-23(4)5)39-26(41)24(20-22(2)3)40-28(43)29(32,33)30(34,35)31(36,37)38/h22-25H,6-21H2,1-5H3,(H,39,41)(H,40,43)
InChIKey LSJSACZBXXWWNJ-UHFFFAOYSA-N
Mol Weight 650.8 g/mol
Molecular Formula C31H53F7N2O4
Exact Mass 650.389355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hFbCzAnAUo
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 650.389355332 u
Formula C31H53F7N2O4
InChI InChI=1S/C31H53F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-44-27(42)25(21-23(4)5)39-26(41)24(20-22(2)3)40-28(43)29(32,33)30(34,35)31(36,37)38/h22-25H,6-21H2,1-5H3,(H,39,41)(H,40,43)
InChIKey LSJSACZBXXWWNJ-UHFFFAOYSA-N
Molecular Weight 650.764 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O)CC(C)C)=O