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methyl ({[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}oxy)acetate
SpectraBase Compound ID EZhxtmCjSy1
InChI InChI=1S/C14H14ClN3O3/c1-10-12(8-16-21-9-13(19)20-2)14(15)18(17-10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b16-8+
InChIKey QPCRVWRNGXLDSY-LZYBPNLTSA-N
Mol Weight 307.74 g/mol
Molecular Formula C14H14ClN3O3
Exact Mass 307.072369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GNh5yNCvex
Name Methyl ({[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}oxy)acetate
Comments Computed using HOSE algorithm
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Exact Mass 307.072369020 u
Formula C14H14ClN3O3
InChI InChI=1S/C14H14ClN3O3/c1-10-12(8-16-21-9-13(19)20-2)14(15)18(17-10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3/b16-8+
InChIKey QPCRVWRNGXLDSY-LZYBPNLTSA-N
Molecular Weight 307.737 g/mol
SMILES C=1C=CC(N2C(=C(\C=N\OCC(=O)OC)C(=N2)C)Cl)=CC1