| SpectraBase Compound ID | Jb0v1QujpJR |
|---|---|
| InChI | InChI=1S/C11H9BrN2O2/c1-7-9(12)10(11(15)16)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16) |
| InChIKey | CGLVKCDFQPUAQJ-UHFFFAOYSA-N |
| Mol Weight | 281.11 g/mol |
| Molecular Formula | C11H9BrN2O2 |
| Exact Mass | 279.984741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8A9m5zOnawT |
|---|---|
| Name | 4-Bromanyl-5-methyl-2-phenyl-pyrazole-3-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.984740536 u |
| Formula | C11H9BrN2O2 |
| InChI | InChI=1S/C11H9BrN2O2/c1-7-9(12)10(11(15)16)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16) |
| InChIKey | CGLVKCDFQPUAQJ-UHFFFAOYSA-N |
| Molecular Weight | 281.109 g/mol |
| SMILES | C=1(N(N=C(C1Br)C)C=1C=CC=CC1)C(=O)O |