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5-Bromo-2-(4-nitrophenyl)-3H-1,3-benzodiazole
SpectraBase Compound ID AztJztMsQWS
InChI InChI=1S/C13H8BrN3O2/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(5-2-8)17(18)19/h1-7H,(H,15,16)
InChIKey AAKXXFVQNJXNTI-UHFFFAOYSA-N
Mol Weight 318.13 g/mol
Molecular Formula C13H8BrN3O2
Exact Mass 316.97999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaQ4MpclC1i
Name 5-Bromo-2-(4-nitrophenyl)-3H-1,3-benzodiazole
Comments Computed using HOSE algorithm
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Exact Mass 316.979989508 u
Formula C13H8BrN3O2
InChI InChI=1S/C13H8BrN3O2/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(5-2-8)17(18)19/h1-7H,(H,15,16)
InChIKey AAKXXFVQNJXNTI-UHFFFAOYSA-N
Molecular Weight 318.130 g/mol
SMILES C1(=CC=C2C(=C1)NC(=N2)C1=CC=C(C=C1)N(=O)=O)Br