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gly-4-hyp, N-(N-Propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID KVxlWOxeYZQ
InChI InChI=1S/C12H20N2O6/c1-3-4-20-12(18)13-6-10(16)14-7-8(15)5-9(14)11(17)19-2/h8-9,15H,3-7H2,1-2H3,(H,13,18)
InChIKey RRHGFNGJHGGGQR-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C12H20N2O6
Exact Mass 288.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKjUbrYLUe3
Name gly-4-hyp, N-(N-Propyloxycarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 288.132136366 u
Formula C12H20N2O6
InChI InChI=1S/C12H20N2O6/c1-3-4-20-12(18)13-6-10(16)14-7-8(15)5-9(14)11(17)19-2/h8-9,15H,3-7H2,1-2H3,(H,13,18)
InChIKey RRHGFNGJHGGGQR-UHFFFAOYSA-N
SMILES C(CNC(OCCC)=O)(=O)N1C(C(OC)=O)CC(C1)O