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dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-octyloxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-octyloxycarbonyl-, octyl ester
SpectraBase Compound ID BHtWyMtkifv
InChI InChI=1S/C25H48N2O5/c1-7-9-11-13-15-17-19-31-24(29)22(4)26(5)23(28)21(3)27(6)25(30)32-20-18-16-14-12-10-8-2/h21-22H,7-20H2,1-6H3
InChIKey GNYLFSFQRJKHMR-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C25H48N2O5
Exact Mass 456.356323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EONd6nQM6J5
Name dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-octyloxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.356322649 u
Formula C25H48N2O5
InChI InChI=1S/C25H48N2O5/c1-7-9-11-13-15-17-19-31-24(29)22(4)26(5)23(28)21(3)27(6)25(30)32-20-18-16-14-12-10-8-2/h21-22H,7-20H2,1-6H3
InChIKey GNYLFSFQRJKHMR-UHFFFAOYSA-N
Molecular Weight 456.668 g/mol
SMILES C(C(N(C)C(C(N(C)C(OCCCCCCCC)=O)C)=O)C)(OCCCCCCCC)=O