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L-Leucyl-L-leucine, N-methoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester

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L-Leucyl-L-leucine, N-methoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 7ThKEOSIhqW
InChI InChI=1S/C18H27F7N2O5/c1-9(2)6-11(27-15(30)31-5)13(28)26-12(7-10(3)4)14(29)32-8-16(19,20)17(21,22)18(23,24)25/h9-12H,6-8H2,1-5H3,(H,26,28)(H,27,30)
InChIKey NDPBINMNDUCKPL-UHFFFAOYSA-N
Mol Weight 484.41 g/mol
Molecular Formula C18H27F7N2O5
Exact Mass 484.180819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ifb8YVS9XUv
Name L-Leucyl-L-leucine, N-methoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.180819113 u
Formula C18H27F7N2O5
InChI InChI=1S/C18H27F7N2O5/c1-9(2)6-11(27-15(30)31-5)13(28)26-12(7-10(3)4)14(29)32-8-16(19,20)17(21,22)18(23,24)25/h9-12H,6-8H2,1-5H3,(H,26,28)(H,27,30)
InChIKey NDPBINMNDUCKPL-UHFFFAOYSA-N
Molecular Weight 484.412 g/mol
SMILES C(C(NC(OC)=O)CC(C)C)(=O)NC(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C