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

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L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, eicosyl ester
SpectraBase Compound ID 1raB7JcSjUY
InChI InChI=1S/C34H67NO4/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28-38-33(36)32(30-31(3)4)35(5)34(37)39-29-26-11-9-7-2/h31-32H,6-30H2,1-5H3/t32-/m0/s1
InChIKey NPWFJRXQVYSMDY-YTTGMZPUSA-N
Mol Weight 553.9 g/mol
Molecular Formula C34H67NO4
Exact Mass 553.50701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCHuaP0YLiM
Name L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, eicosyl ester
Comments Computed using HOSE algorithm
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Exact Mass 553.507009637 u
Formula C34H67NO4
InChI InChI=1S/C34H67NO4/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28-38-33(36)32(30-31(3)4)35(5)34(37)39-29-26-11-9-7-2/h31-32H,6-30H2,1-5H3/t32-/m0/s1
InChIKey NPWFJRXQVYSMDY-YTTGMZPUSA-N
Molecular Weight 553.913 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCCC)(C(OCCCCCCCCCCCCCCCCCCCC)=O)[H]