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L-Leucine, N-isobutoxycarbonyl-N-methyl-, heptadecyl ester
SpectraBase Compound ID C1Qtqp0971p
InChI InChI=1S/C29H57NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-28(31)27(23-25(2)3)30(6)29(32)34-24-26(4)5/h25-27H,7-24H2,1-6H3
InChIKey PVKMCCGPFKKHPT-UHFFFAOYSA-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 1GWXtU9dKzI
Name L-Leucine, N-isobutoxycarbonyl-N-methyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 483.428759315 u
Formula C29H57NO4
InChI InChI=1S/C29H57NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-28(31)27(23-25(2)3)30(6)29(32)34-24-26(4)5/h25-27H,7-24H2,1-6H3
InChIKey PVKMCCGPFKKHPT-UHFFFAOYSA-N
Molecular Weight 483.778 g/mol
SMILES CC(C)COC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)CC(C)C)C)=O