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L-Isoleucine, N-neopentyloxycarbonyl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-neopentyloxycarbonyl-, dodecyl ester
SpectraBase Compound ID LPJvd0BUef2
InChI InChI=1S/C24H47NO4/c1-7-9-10-11-12-13-14-15-16-17-18-28-22(26)21(20(3)8-2)25-23(27)29-19-24(4,5)6/h20-21H,7-19H2,1-6H3,(H,25,27)
InChIKey TUHSTBGHYAIGLE-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 8VK67SFSZln
Name L-Isoleucine, N-neopentyloxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.350508993 u
Formula C24H47NO4
InChI InChI=1S/C24H47NO4/c1-7-9-10-11-12-13-14-15-16-17-18-28-22(26)21(20(3)8-2)25-23(27)29-19-24(4,5)6/h20-21H,7-19H2,1-6H3,(H,25,27)
InChIKey TUHSTBGHYAIGLE-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES CCCCCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O