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1-(2,4-dichlorobenzyl)-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-3-carbohydrazide
SpectraBase Compound ID BIgxAr7cQi6
InChI InChI=1S/C18H12Cl4N4O/c19-13-3-1-11(15(21)7-13)9-23-24-18(27)17-5-6-26(25-17)10-12-2-4-14(20)8-16(12)22/h1-9H,10H2,(H,24,27)/b23-9+
InChIKey MFMMTZLHFMJIDS-NUGSKGIGSA-N
Mol Weight 442.1 g/mol
Molecular Formula C18H12Cl4N4O
Exact Mass 439.976522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Cb8CZL2PrW
Name 1-(2,4-Dichlorobenzyl)-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 439.976521821 u
Formula C18H12Cl4N4O
InChI InChI=1S/C18H12Cl4N4O/c19-13-3-1-11(15(21)7-13)9-23-24-18(27)17-5-6-26(25-17)10-12-2-4-14(20)8-16(12)22/h1-9H,10H2,(H,24,27)/b23-9+
InChIKey MFMMTZLHFMJIDS-NUGSKGIGSA-N
Molecular Weight 442.133 g/mol
SMILES N(\N=C\C=1C(=CC(=CC1)Cl)Cl)C(C1=NN(CC2=C(C=C(C=C2)Cl)Cl)C=C1)=O