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1-(6-Chloro-3-pyridazinyl)-5-hydroxypyrazole-3-carboxylic acid, methyl ester, acetate (ester)
SpectraBase Compound ID 2Pbg4S6F2eW
InChI InChI=1S/C11H9ClN4O4/c1-6(17)20-10-5-7(11(18)19-2)15-16(10)9-4-3-8(12)13-14-9/h3-5H,1-2H3
InChIKey JMZMYZYMLJDNTC-UHFFFAOYSA-N
Mol Weight 296.67 g/mol
Molecular Formula C11H9ClN4O4
Exact Mass 296.031232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1k0w1P9eAUa
Name 1-(6-Chloro-3-pyridazinyl)-5-hydroxypyrazole-3-carboxylic acid, methyl ester, acetate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 296.031232482 u
Formula C11H9ClN4O4
InChI InChI=1S/C11H9ClN4O4/c1-6(17)20-10-5-7(11(18)19-2)15-16(10)9-4-3-8(12)13-14-9/h3-5H,1-2H3
InChIKey JMZMYZYMLJDNTC-UHFFFAOYSA-N
Molecular Weight 296.670 g/mol
SMILES C=1C(=NN=C(C1)Cl)N1C(=CC(=N1)C(=O)OC)OC(=O)C