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dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(byt-3-en-1-yloxycarbonyl)-, heptyl ester
SpectraBase Compound ID 5nR8k38eIrk
InChI InChI=1S/C20H36N2O5/c1-7-9-11-12-13-15-26-19(24)17(4)21(5)18(23)16(3)22(6)20(25)27-14-10-8-2/h8,16-17H,2,7,9-15H2,1,3-6H3
InChIKey TXOINJUMZHFZJE-UHFFFAOYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C20H36N2O5
Exact Mass 384.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdoAAIWIjwB
Name dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(byt-3-en-1-yloxycarbonyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.262422262 u
Formula C20H36N2O5
InChI InChI=1S/C20H36N2O5/c1-7-9-11-12-13-15-26-19(24)17(4)21(5)18(23)16(3)22(6)20(25)27-14-10-8-2/h8,16-17H,2,7,9-15H2,1,3-6H3
InChIKey TXOINJUMZHFZJE-UHFFFAOYSA-N
Molecular Weight 384.517 g/mol
SMILES CN(C(C(=O)OCCCCCCC)C)C(=O)C(N(C(=O)OCCC=C)C)C