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.Epsilon.-N'-methyllysine, N,N'-di(trifluoroacetyl)-, N-butyl ester
SpectraBase Compound ID DV3WoJUSMOm
InChI InChI=1S/C15H22F6N2O4/c1-3-4-9-27-11(24)10(22-12(25)14(16,17)18)7-5-6-8-23(2)13(26)15(19,20)21/h10H,3-9H2,1-2H3,(H,22,25)
InChIKey YOUUHMRDZILLGM-UHFFFAOYSA-N
Mol Weight 408.34 g/mol
Molecular Formula C15H22F6N2O4
Exact Mass 408.148376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHGA70eoRyl
Name .Epsilon.-N'-methyllysine, N,N'-di(trifluoroacetyl)-, N-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.148376170 u
Formula C15H22F6N2O4
InChI InChI=1S/C15H22F6N2O4/c1-3-4-9-27-11(24)10(22-12(25)14(16,17)18)7-5-6-8-23(2)13(26)15(19,20)21/h10H,3-9H2,1-2H3,(H,22,25)
InChIKey YOUUHMRDZILLGM-UHFFFAOYSA-N
Molecular Weight 408.341 g/mol
SMILES C(C(N(C)CCCCC(NC(C(F)(F)F)=O)C(OCCCC)=O)=O)(F)(F)F