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3-Hydroxy-2-[(2'-methyl-2,4'-bi(1,3-oxazolyl)-4-ylcarbonylamino)propionic acid methyl ester
SpectraBase Compound ID JRa3rZOi2RM
InChI InChI=1S/C12H13N3O6/c1-6-13-9(5-20-6)11-15-8(4-21-11)10(17)14-7(3-16)12(18)19-2/h4-5,7,16H,3H2,1-2H3,(H,14,17)
InChIKey CNKXIBRFHBFUKT-UHFFFAOYSA-N
Mol Weight 295.25 g/mol
Molecular Formula C12H13N3O6
Exact Mass 295.080435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETzDpRVzi2r
Name 3-Hydroxy-2-[(2'-methyl-2,4'-bi(1,3-oxazolyl)-4-ylcarbonylamino)propionic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 295.080435145 u
Formula C12H13N3O6
InChI InChI=1S/C12H13N3O6/c1-6-13-9(5-20-6)11-15-8(4-21-11)10(17)14-7(3-16)12(18)19-2/h4-5,7,16H,3H2,1-2H3,(H,14,17)
InChIKey CNKXIBRFHBFUKT-UHFFFAOYSA-N
Molecular Weight 295.251 g/mol
SMILES C=1(N=C(C=2N=C(C)OC2)OC1)C(NC(C(=O)OC)CO)=O