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L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester
SpectraBase Compound ID DFBfruy07ur
InChI InChI=1S/C29H55NO4/c1-8-9-10-11-12-13-14-15-16-19-33-28(31)26(20-22(2)3)30(7)29(32)34-27-21-24(6)17-18-25(27)23(4)5/h22-27H,8-21H2,1-7H3
InChIKey ADQOYZIXKZISNF-UHFFFAOYSA-N
Mol Weight 481.8 g/mol
Molecular Formula C29H55NO4
Exact Mass 481.413109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oTMPsgvDUu
Name L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 481.413109251 u
Formula C29H55NO4
InChI InChI=1S/C29H55NO4/c1-8-9-10-11-12-13-14-15-16-19-33-28(31)26(20-22(2)3)30(7)29(32)34-27-21-24(6)17-18-25(27)23(4)5/h22-27H,8-21H2,1-7H3
InChIKey ADQOYZIXKZISNF-UHFFFAOYSA-N
Molecular Weight 481.762 g/mol
SMILES C(C)(C)CC(N(C)C(=O)OC1C(C(C)C)CCC(C)C1)C(OCCCCCCCCCCC)=O