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1H-benzimidazole-1-acetic acid, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
SpectraBase Compound ID 6hoecrdLXVs
InChI InChI=1S/C16H13BrN4O/c17-13-7-5-12(6-8-13)9-19-20-16(22)10-21-11-18-14-3-1-2-4-15(14)21/h1-9,11H,10H2,(H,20,22)/b19-9+
InChIKey IRKJNSLVHBHKTB-DJKKODMXSA-N
Mol Weight 357.21 g/mol
Molecular Formula C16H13BrN4O
Exact Mass 356.027274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBHX2w5Tumr
Name 1H-Benzimidazole-1-acetic acid, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 356.027274054 u
Formula C16H13BrN4O
InChI InChI=1S/C16H13BrN4O/c17-13-7-5-12(6-8-13)9-19-20-16(22)10-21-11-18-14-3-1-2-4-15(14)21/h1-9,11H,10H2,(H,20,22)/b19-9+
InChIKey IRKJNSLVHBHKTB-DJKKODMXSA-N
Molecular Weight 357.211 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)Br)C(CN1C=NC2=C1C=CC=C2)=O