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L-Leucine, N-isobutoxycarbonyl-N-methyl-, hexadecyl ester
SpectraBase Compound ID Jkcsrno7MC1
InChI InChI=1S/C28H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-27(30)26(22-24(2)3)29(6)28(31)33-23-25(4)5/h24-26H,7-23H2,1-6H3
InChIKey WTDAKLUVIOBYBF-UHFFFAOYSA-N
Mol Weight 469.8 g/mol
Molecular Formula C28H55NO4
Exact Mass 469.413109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vdki1MKhdc
Name L-Leucine, N-isobutoxycarbonyl-N-methyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 469.413109251 u
Formula C28H55NO4
InChI InChI=1S/C28H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-27(30)26(22-24(2)3)29(6)28(31)33-23-25(4)5/h24-26H,7-23H2,1-6H3
InChIKey WTDAKLUVIOBYBF-UHFFFAOYSA-N
Molecular Weight 469.751 g/mol
SMILES CC(C)COC(N(C(C(OCCCCCCCCCCCCCCCC)=O)CC(C)C)C)=O