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L-Leucine, N-isobutoxycarbonyl-N-methyl-, dodecyl ester
SpectraBase Compound ID HfJY3JbiT2D
InChI InChI=1S/C24H47NO4/c1-7-8-9-10-11-12-13-14-15-16-17-28-23(26)22(18-20(2)3)25(6)24(27)29-19-21(4)5/h20-22H,7-19H2,1-6H3
InChIKey XITXUJKARMVOAR-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C24H47NO4
Exact Mass 413.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4d9xdRzWxHg
Name L-Leucine, N-isobutoxycarbonyl-N-methyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.350508993 u
Formula C24H47NO4
InChI InChI=1S/C24H47NO4/c1-7-8-9-10-11-12-13-14-15-16-17-28-23(26)22(18-20(2)3)25(6)24(27)29-19-21(4)5/h20-22H,7-19H2,1-6H3
InChIKey XITXUJKARMVOAR-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES CC(C)COC(N(C(C(OCCCCCCCCCCCC)=O)CC(C)C)C)=O