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

View entire compound with spectra: 1 NMR

Valylvaline, N,N'dimethyl-N'-ethoxycarbonyl-, isobutyl ester
SpectraBase Compound ID G1jtvwpyNkR
InChI InChI=1S/C19H36N2O5/c1-10-25-19(24)21(9)15(13(4)5)17(22)20(8)16(14(6)7)18(23)26-11-12(2)3/h12-16H,10-11H2,1-9H3
InChIKey MVLHYMYWXJVJOK-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C19H36N2O5
Exact Mass 372.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQRBBUAkB2o
Name Valylvaline, N,N'dimethyl-N'-ethoxycarbonyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.262422262 u
Formula C19H36N2O5
InChI InChI=1S/C19H36N2O5/c1-10-25-19(24)21(9)15(13(4)5)17(22)20(8)16(14(6)7)18(23)26-11-12(2)3/h12-16H,10-11H2,1-9H3
InChIKey MVLHYMYWXJVJOK-UHFFFAOYSA-N
Molecular Weight 372.506 g/mol
SMILES CCOC(N(C(C(N(C(C(C)C)C(OCC(C)C)=O)C)=O)C(C)C)C)=O