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

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Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, butyl ester
SpectraBase Compound ID CKg5T5RZlSc
InChI InChI=1S/C19H36N2O5/c1-9-11-12-26-18(23)16(14(5)6)20(7)17(22)15(13(3)4)21(8)19(24)25-10-2/h13-16H,9-12H2,1-8H3
InChIKey OVMCFCISLNLZAI-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 3tM7tAgnFQM
Name Valylvaline, N,N'-dimethyl-N'-ethoxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.262422262 u
Formula C19H36N2O5
InChI InChI=1S/C19H36N2O5/c1-9-11-12-26-18(23)16(14(5)6)20(7)17(22)15(13(3)4)21(8)19(24)25-10-2/h13-16H,9-12H2,1-8H3
InChIKey OVMCFCISLNLZAI-UHFFFAOYSA-N
Molecular Weight 372.506 g/mol
SMILES CCOC(N(C(C(N(C(C(C)C)C(OCCCC)=O)C)=O)C(C)C)C)=O