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2-(5-amino-2H-tetraazol-2-yl)-N'-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 9YKbqDaGCdx
InChI InChI=1S/C10H9Br2N7O2/c11-6-1-5(9(21)7(12)2-6)3-14-15-8(20)4-19-17-10(13)16-18-19/h1-3,21H,4H2,(H2,13,17)(H,15,20)/b14-3-
InChIKey IZBOIWXMBWISSN-BNNQUZSASA-N
Mol Weight 419.04 g/mol
Molecular Formula C10H9Br2N7O2
Exact Mass 416.918449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6giVpNhRRGw
Name 2-(5-Amino-2H-tetraazol-2-yl)-N'-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 416.918448556 u
Formula C10H9Br2N7O2
InChI InChI=1S/C10H9Br2N7O2/c11-6-1-5(9(21)7(12)2-6)3-14-15-8(20)4-19-17-10(13)16-18-19/h1-3,21H,4H2,(H2,13,17)(H,15,20)/b14-3-
InChIKey IZBOIWXMBWISSN-BNNQUZSASA-N
Molecular Weight 419.037 g/mol
SMILES OC=1C(\C=N/NC(CN2N=NC(=N2)N)=O)=CC(=CC1Br)Br