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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-(2-methoxyethoxycarbonyl)-, hexyl ester
SpectraBase Compound ID BySCOvlZVBz
InChI InChI=1S/C22H42N2O6/c1-9-10-11-12-13-29-21(26)19(17(4)5)23(6)20(25)18(16(2)3)24(7)22(27)30-15-14-28-8/h16-19H,9-15H2,1-8H3
InChIKey XXDHUIULTIOHHF-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C22H42N2O6
Exact Mass 430.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PuJUF4AvLI
Name Valylvaline, N,N'-dimethyl-N'-(2-methoxyethoxycarbonyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.304287074 u
Formula C22H42N2O6
InChI InChI=1S/C22H42N2O6/c1-9-10-11-12-13-29-21(26)19(17(4)5)23(6)20(25)18(16(2)3)24(7)22(27)30-15-14-28-8/h16-19H,9-15H2,1-8H3
InChIKey XXDHUIULTIOHHF-UHFFFAOYSA-N
Molecular Weight 430.586 g/mol
SMILES COCCOC(N(C(C(N(C(C(OCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O