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Valylvaline, N,N'-dimethyl-N'-(2-methoxyethoxycarbonyl)-, heptyl ester

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-(2-methoxyethoxycarbonyl)-, heptyl ester
SpectraBase Compound ID HvLbnr3zSVk
InChI InChI=1S/C23H44N2O6/c1-9-10-11-12-13-14-30-22(27)20(18(4)5)24(6)21(26)19(17(2)3)25(7)23(28)31-16-15-29-8/h17-20H,9-16H2,1-8H3
InChIKey BWJFYSNBNCUCTE-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C23H44N2O6
Exact Mass 444.319937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdDgnaQmuUw
Name Valylvaline, N,N'-dimethyl-N'-(2-methoxyethoxycarbonyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.319937139 u
Formula C23H44N2O6
InChI InChI=1S/C23H44N2O6/c1-9-10-11-12-13-14-30-22(27)20(18(4)5)24(6)21(26)19(17(2)3)25(7)23(28)31-16-15-29-8/h17-20H,9-16H2,1-8H3
InChIKey BWJFYSNBNCUCTE-UHFFFAOYSA-N
Molecular Weight 444.613 g/mol
SMILES COCCOC(N(C(C(N(C(C(OCCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O