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Alanine, N-methyl-N-benzyloxycarbonyl-, dodecyl ester
SpectraBase Compound ID 9wHo4vNTzBC
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-11-12-16-19-28-23(26)21(2)25(3)24(27)29-20-22-17-14-13-15-18-22/h13-15,17-18,21H,4-12,16,19-20H2,1-3H3
InChIKey CDGJORIPQBFDHY-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hMKm5a411y
Name Alanine, N-methyl-N-benzyloxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-11-12-16-19-28-23(26)21(2)25(3)24(27)29-20-22-17-14-13-15-18-22/h13-15,17-18,21H,4-12,16,19-20H2,1-3H3
InChIKey CDGJORIPQBFDHY-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES C1=CC=CC=C1COC(N(C(C(OCCCCCCCCCCCC)=O)C)C)=O