SpectraBase Compound ID | ATnsmqXagJu |
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InChI | InChI=1S/C9H6BrN3O2/c10-7-5-11-12(6-7)8-1-3-9(4-2-8)13(14)15/h1-6H |
InChIKey | JZJKYYMACBPTDC-UHFFFAOYSA-N |
Mol Weight | 268.07 g/mol |
Molecular Formula | C9H6BrN3O2 |
Exact Mass | 266.964339 g/mol |
SpectraBase Spectrum ID | 3SVq0gTvf05 |
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Name | 4-Bromo-1-(p-nitrophenyl)pyrazole |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 266.964339443 u |
Formula | C9H6BrN3O2 |
InChI | InChI=1S/C9H6BrN3O2/c10-7-5-11-12(6-7)8-1-3-9(4-2-8)13(14)15/h1-6H |
InChIKey | JZJKYYMACBPTDC-UHFFFAOYSA-N |
Molecular Weight | 268.070 g/mol |
SMILES | N(=O)(=O)C1=CC=C(C=C1)N1C=C(C=N1)Br |