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5-[(3,4-Dichlorobenzylidene)hydrazino]-3-methylpyrazole-4-carboxylic acid, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

5-[(3,4-Dichlorobenzylidene)hydrazino]-3-methylpyrazole-4-carboxylic acid, ethyl ester
SpectraBase Compound ID 61aAQVBuaS9
InChI InChI=1S/C14H14Cl2N4O2/c1-3-22-14(21)12-8(2)18-20-13(12)19-17-7-9-4-5-10(15)11(16)6-9/h4-7H,3H2,1-2H3,(H2,18,19,20)/b17-7+
InChIKey SHSAJYFPBYZMNF-REZTVBANSA-N
Mol Weight 341.2 g/mol
Molecular Formula C14H14Cl2N4O2
Exact Mass 340.049381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhWgN9rEoux
Name 5-[(3,4-Dichlorobenzylidene)hydrazino]-3-methylpyrazole-4-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.049381105 u
Formula C14H14Cl2N4O2
InChI InChI=1S/C14H14Cl2N4O2/c1-3-22-14(21)12-8(2)18-20-13(12)19-17-7-9-4-5-10(15)11(16)6-9/h4-7H,3H2,1-2H3,(H2,18,19,20)/b17-7+
InChIKey SHSAJYFPBYZMNF-REZTVBANSA-N
Molecular Weight 341.198 g/mol
SMILES N(C1=C(C(C)=NN1)C(=O)OCC)\N=C\C=1C=CC(Cl)=C(Cl)C1