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Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, heptyl ester
SpectraBase Compound ID 7aS8b3sbo9E
InChI InChI=1S/C20H38N2O5/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/h16-17H,7-15H2,1-6H3
InChIKey LOYVUSMWBVYRKX-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C20H38N2O5
Exact Mass 386.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsLyIGBuUNz
Name Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.278072327 u
Formula C20H38N2O5
InChI InChI=1S/C20H38N2O5/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/h16-17H,7-15H2,1-6H3
InChIKey LOYVUSMWBVYRKX-UHFFFAOYSA-N
Molecular Weight 386.533 g/mol
SMILES CCCCOC(N(C(C(N(C(C(OCCCCCCC)=O)C)C)=O)C)C)=O