| SpectraBase Compound ID | 7KemzR88pG0 |
|---|---|
| InChI | InChI=1S/C11H9BrN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16) |
| InChIKey | XHUOEOFQYJPQOZ-UHFFFAOYSA-N |
| Mol Weight | 281.11 g/mol |
| Molecular Formula | C11H9BrN2O2 |
| Exact Mass | 279.984741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4oFVhaKoHLV |
|---|---|
| Name | 1-(4-Bromophenyl)-5-methyl-1H-pyrazole-4-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/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16) |
| InChIKey | XHUOEOFQYJPQOZ-UHFFFAOYSA-N |
| Molecular Weight | 281.109 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)N1N=CC(=C1C)C(=O)O |