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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'dimethyl-N'-ethoxycarbonyl-, undecyl ester
SpectraBase Compound ID 8RtoMmeSB9o
InChI InChI=1S/C26H50N2O5/c1-9-11-12-13-14-15-16-17-18-19-33-25(30)23(21(5)6)27(7)24(29)22(20(3)4)28(8)26(31)32-10-2/h20-23H,9-19H2,1-8H3
InChIKey AQJUTFKPCQDCKG-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C26H50N2O5
Exact Mass 470.371973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqTRYuZLzX3
Name Valylvaline, N,N'dimethyl-N'-ethoxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.371972713 u
Formula C26H50N2O5
InChI InChI=1S/C26H50N2O5/c1-9-11-12-13-14-15-16-17-18-19-33-25(30)23(21(5)6)27(7)24(29)22(20(3)4)28(8)26(31)32-10-2/h20-23H,9-19H2,1-8H3
InChIKey AQJUTFKPCQDCKG-UHFFFAOYSA-N
Molecular Weight 470.695 g/mol
SMILES CCOC(N(C(C(N(C(C(OCCCCCCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O