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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-(2-methoxyethoxycarbonyl)-, pentyl ester
SpectraBase Compound ID Kd3HoleYka0
InChI InChI=1S/C21H40N2O6/c1-9-10-11-12-28-20(25)18(16(4)5)22(6)19(24)17(15(2)3)23(7)21(26)29-14-13-27-8/h15-18H,9-14H2,1-8H3
InChIKey QNSXIBCFVBGSDH-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C21H40N2O6
Exact Mass 416.288637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XKFXGJozju
Name Valylvaline, N,N'-dimethyl-N'-(2-methoxyethoxycarbonyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.288637010 u
Formula C21H40N2O6
InChI InChI=1S/C21H40N2O6/c1-9-10-11-12-28-20(25)18(16(4)5)22(6)19(24)17(15(2)3)23(7)21(26)29-14-13-27-8/h15-18H,9-14H2,1-8H3
InChIKey QNSXIBCFVBGSDH-UHFFFAOYSA-N
Molecular Weight 416.559 g/mol
SMILES COCCOC(N(C(C(N(C(C(C)C)C(OCCCCC)=O)C)=O)C(C)C)C)=O