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2-(4-Chlorophenyl)-5-morpholin-4-yl-1H-imidazol-4-carboxylic acid, methyl ester
SpectraBase Compound ID HHJMqDHGP3w
InChI InChI=1S/C15H16ClN3O3/c1-21-15(20)12-14(19-6-8-22-9-7-19)18-13(17-12)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,18)
InChIKey IADKQOYHRZZWLL-UHFFFAOYSA-N
Mol Weight 321.76 g/mol
Molecular Formula C15H16ClN3O3
Exact Mass 321.088019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsWQg6bqybK
Name 2-(4-Chlorophenyl)-5-morpholin-4-yl-1H-imidazol-4-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 321.088019084 u
Formula C15H16ClN3O3
InChI InChI=1S/C15H16ClN3O3/c1-21-15(20)12-14(19-6-8-22-9-7-19)18-13(17-12)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,18)
InChIKey IADKQOYHRZZWLL-UHFFFAOYSA-N
Molecular Weight 321.764 g/mol
SMILES C=1(NC(N2CCOCC2)=C(N1)C(OC)=O)C1=CC=C(C=C1)Cl