![4-bromo-1-[(4-bromophenyl)acetyl]-3,5-dimethyl-1H-pyrazole](/api/spectrum/CTks1vAUa6A/structure.png?h=300&w=458 "4-bromo-1-[(4-bromophenyl)acetyl]-3,5-dimethyl-1H-pyrazole")
| SpectraBase Compound ID | 1ChDYmp3oTb |
|---|---|
| InChI | InChI=1S/C13H12Br2N2O/c1-8-13(15)9(2)17(16-8)12(18)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3 |
| InChIKey | CKPIXFZWONVIBO-UHFFFAOYSA-N |
| Mol Weight | 372.06 g/mol |
| Molecular Formula | C13H12Br2N2O |
| Exact Mass | 369.931639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTks1vAUa6A |
|---|---|
| Name | 4-Bromo-1-[(4-bromophenyl)acetyl]-3,5-dimethyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.931639013 u |
| Formula | C13H12Br2N2O |
| InChI | InChI=1S/C13H12Br2N2O/c1-8-13(15)9(2)17(16-8)12(18)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3 |
| InChIKey | CKPIXFZWONVIBO-UHFFFAOYSA-N |
| Molecular Weight | 372.060 g/mol |
| SMILES | C=1C=C(C=CC1CC(=O)N1C(=C(Br)C(=N1)C)C)Br |