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L-Leucine, N-methyl-N-(octyloxycarbonyl)-, tridecyl ester
SpectraBase Compound ID LjgH6UBy5g8
InChI InChI=1S/C29H57NO4/c1-6-8-10-12-14-15-16-17-18-20-21-23-33-28(31)27(25-26(3)4)30(5)29(32)34-24-22-19-13-11-9-7-2/h26-27H,6-25H2,1-5H3/t27-/m0/s1
InChIKey RJJUDYDLHGWENL-MHZLTWQESA-N
Mol Weight 483.8 g/mol
Molecular Formula C29H57NO4
Exact Mass 483.428759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSC4YiICV8W
Name L-Leucine, N-methyl-N-(octyloxycarbonyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 483.428759315 u
Formula C29H57NO4
InChI InChI=1S/C29H57NO4/c1-6-8-10-12-14-15-16-17-18-20-21-23-33-28(31)27(25-26(3)4)30(5)29(32)34-24-22-19-13-11-9-7-2/h26-27H,6-25H2,1-5H3/t27-/m0/s1
InChIKey RJJUDYDLHGWENL-MHZLTWQESA-N
Molecular Weight 483.778 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCCCCC)(C(OCCCCCCCCCCCCC)=O)[H]