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

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5-[(3,5-Dichlorosalicylidene)hydrazino]-3-methylpyrazole-4-carboxylic acid, ethyl ester
SpectraBase Compound ID LIeSB514uEE
InChI InChI=1S/C14H14Cl2N4O3/c1-3-23-14(22)11-7(2)18-20-13(11)19-17-6-8-4-9(15)5-10(16)12(8)21/h4-6,21H,3H2,1-2H3,(H2,18,19,20)/b17-6+
InChIKey ARIXFEZTJFVERF-UBKPWBPPSA-N
Mol Weight 357.2 g/mol
Molecular Formula C14H14Cl2N4O3
Exact Mass 356.044296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DrRHUDMhYl
Name 5-[(3,5-Dichlorosalicylidene)hydrazino]-3-methylpyrazole-4-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.044295724 u
Formula C14H14Cl2N4O3
InChI InChI=1S/C14H14Cl2N4O3/c1-3-23-14(22)11-7(2)18-20-13(11)19-17-6-8-4-9(15)5-10(16)12(8)21/h4-6,21H,3H2,1-2H3,(H2,18,19,20)/b17-6+
InChIKey ARIXFEZTJFVERF-UBKPWBPPSA-N
Molecular Weight 357.197 g/mol
SMILES N(C1=C(C(C)=NN1)C(=O)OCC)\N=C\C=1C=C(C=C(C1O)Cl)Cl