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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, decyl ester
SpectraBase Compound ID 6IBsk2WrxCJ
InChI InChI=1S/C25H48N2O5/c1-9-11-12-13-14-15-16-17-18-32-24(29)22(20(5)6)26(7)23(28)21(19(3)4)27(8)25(30)31-10-2/h19-22H,9-18H2,1-8H3
InChIKey LJWJQVICIXFHML-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C25H48N2O5
Exact Mass 456.356323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jrh55DiQQFE
Name Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.356322649 u
Formula C25H48N2O5
InChI InChI=1S/C25H48N2O5/c1-9-11-12-13-14-15-16-17-18-32-24(29)22(20(5)6)26(7)23(28)21(19(3)4)27(8)25(30)31-10-2/h19-22H,9-18H2,1-8H3
InChIKey LJWJQVICIXFHML-UHFFFAOYSA-N
Molecular Weight 456.668 g/mol
SMILES CCOC(N(C(C(N(C(C(OCCCCCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O