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Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, pentyl ester

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Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, pentyl ester
SpectraBase Compound ID CEzk1Jaz9ba
InChI InChI=1S/C20H38N2O5/c1-9-11-12-13-27-19(24)17(15(5)6)21(7)18(23)16(14(3)4)22(8)20(25)26-10-2/h14-17H,9-13H2,1-8H3
InChIKey QLDJYATXNWARCE-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 3E2GlDEBnCd
Name Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.278072327 u
Formula C20H38N2O5
InChI InChI=1S/C20H38N2O5/c1-9-11-12-13-27-19(24)17(15(5)6)21(7)18(23)16(14(3)4)22(8)20(25)26-10-2/h14-17H,9-13H2,1-8H3
InChIKey QLDJYATXNWARCE-UHFFFAOYSA-N
Molecular Weight 386.533 g/mol
SMILES CCOC(N(C(C(N(C(C(C)C)C(OCCCCC)=O)C)=O)C(C)C)C)=O