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N'-[(E)-(4-methylphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
SpectraBase Compound ID JRMhdVxGxuK
InChI InChI=1S/C12H13N5O/c1-10-2-4-11(5-3-10)6-14-16-12(18)7-17-9-13-8-15-17/h2-6,8-9H,7H2,1H3,(H,16,18)/b14-6+
InChIKey YCSAMUJGNFAAHQ-MKMNVTDBSA-N
Mol Weight 243.27 g/mol
Molecular Formula C12H13N5O
Exact Mass 243.11201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CN3bSjw2tYI
Name N'-[(E)-(4-methylphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 243.112010058 u
Formula C12H13N5O
InChI InChI=1S/C12H13N5O/c1-10-2-4-11(5-3-10)6-14-16-12(18)7-17-9-13-8-15-17/h2-6,8-9H,7H2,1H3,(H,16,18)/b14-6+
InChIKey YCSAMUJGNFAAHQ-MKMNVTDBSA-N
Molecular Weight 243.270 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)C)C(CN1C=NC=N1)=O