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ile-ile, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, methyl ester (isomer 2)
SpectraBase Compound ID Ee9URxUKt3B
InChI InChI=1S/C19H36N2O5/c1-9-12-26-19(24)21(7)15(13(4)10-2)17(22)20(6)16(14(5)11-3)18(23)25-8/h13-16H,9-12H2,1-8H3
InChIKey BZZGCSMURNWWAY-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 IPUokuM7ss
Name ile-ile, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, methyl ester (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 372.262422262 u
Formula C19H36N2O5
InChI InChI=1S/C19H36N2O5/c1-9-12-26-19(24)21(7)15(13(4)10-2)17(22)20(6)16(14(5)11-3)18(23)25-8/h13-16H,9-12H2,1-8H3
InChIKey BZZGCSMURNWWAY-UHFFFAOYSA-N
Molecular Weight 372.506 g/mol
SMILES CCC(C(C(N(C(C(CC)C)C(OC)=O)C)=O)N(C)C(OCCC)=O)C