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L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, undecyl ester
SpectraBase Compound ID AKA3zJHgGeP
InChI InChI=1S/C25H49NO4/c1-6-8-10-12-13-14-15-16-18-19-29-24(27)23(21-22(3)4)26(5)25(28)30-20-17-11-9-7-2/h22-23H,6-21H2,1-5H3/t23-/m0/s1
InChIKey AIDHHLVGXWVTEU-QHCPKHFHSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FF3xPKA7vUs
Name L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-6-8-10-12-13-14-15-16-18-19-29-24(27)23(21-22(3)4)26(5)25(28)30-20-17-11-9-7-2/h22-23H,6-21H2,1-5H3/t23-/m0/s1
InChIKey AIDHHLVGXWVTEU-QHCPKHFHSA-N
Molecular Weight 427.670 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCCC)(C(OCCCCCCCCCCC)=O)[H]