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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, hexyl ester
SpectraBase Compound ID Gp2cvakaF0
InChI InChI=1S/C21H40N2O5/c1-9-11-12-13-14-28-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)27-10-2/h15-18H,9-14H2,1-8H3
InChIKey XKBYOZIUIKBWEL-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C21H40N2O5
Exact Mass 400.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mpp90m49Q5
Name Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-9-11-12-13-14-28-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)27-10-2/h15-18H,9-14H2,1-8H3
InChIKey XKBYOZIUIKBWEL-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CCOC(N(C(C(N(C(C(C)C)C(OCCCCCC)=O)C)=O)C(C)C)C)=O