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L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester
SpectraBase Compound ID 6nrV7LD3h8k
InChI InChI=1S/C24H47NO4/c1-8-12-14-20(10-3)17-28-23(26)22(16-19(5)6)25(7)24(27)29-18-21(11-4)15-13-9-2/h19-22H,8-18H2,1-7H3
InChIKey GUQMKWFYHFXPES-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 Kxv4conizM3
Name L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.350508993 u
Formula C24H47NO4
InChI InChI=1S/C24H47NO4/c1-8-12-14-20(10-3)17-28-23(26)22(16-19(5)6)25(7)24(27)29-18-21(11-4)15-13-9-2/h19-22H,8-18H2,1-7H3
InChIKey GUQMKWFYHFXPES-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES C(C)(C)CC(N(C)C(=O)OCC(CCCC)CC)C(OCC(CCCC)CC)=O