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2-(5-amino-1H-tetraazol-1-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 6STOuTY4KUq
InChI InChI=1S/C11H13N7O/c1-8-2-4-9(5-3-8)6-13-14-10(19)7-18-11(12)15-16-17-18/h2-6H,7H2,1H3,(H,14,19)(H2,12,15,17)/b13-6+
InChIKey AOKNJCYBRLBXOH-AWNIVKPZSA-N
Mol Weight 259.27 g/mol
Molecular Formula C11H13N7O
Exact Mass 259.118158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fAIj5cuniC
Name 2-(5-Amino-1H-tetraazol-1-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 259.118158066 u
Formula C11H13N7O
InChI InChI=1S/C11H13N7O/c1-8-2-4-9(5-3-8)6-13-14-10(19)7-18-11(12)15-16-17-18/h2-6H,7H2,1H3,(H,14,19)(H2,12,15,17)/b13-6+
InChIKey AOKNJCYBRLBXOH-AWNIVKPZSA-N
Molecular Weight 259.273 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)C)C(CN1C(=NN=N1)N)=O