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Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, butyl ester

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Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, butyl ester
SpectraBase Compound ID 8oVJD07nV5l
InChI InChI=1S/C20H38N2O5/c1-9-11-13-26-19(24)17(15(5)6)21(7)18(23)16(14(3)4)22(8)20(25)27-12-10-2/h14-17H,9-13H2,1-8H3
InChIKey NKKUDEWBMACUDY-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 H3HcX4AwX8y
Name Valylvaline, N,N'-dimethyl-N-propoxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.278072327 u
Formula C20H38N2O5
InChI InChI=1S/C20H38N2O5/c1-9-11-13-26-19(24)17(15(5)6)21(7)18(23)16(14(3)4)22(8)20(25)27-12-10-2/h14-17H,9-13H2,1-8H3
InChIKey NKKUDEWBMACUDY-UHFFFAOYSA-N
Molecular Weight 386.533 g/mol
SMILES CCCOC(N(C(C(N(C(C(C)C)C(OCCCC)=O)C)=O)C(C)C)C)=O