| SpectraBase Compound ID | 8GqnMl6L1O9 |
|---|---|
| InChI | InChI=1S/C9H8BrN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-6H,(H2,11,12) |
| InChIKey | YSUZUBFTGPHXTN-UHFFFAOYSA-N |
| Mol Weight | 238.09 g/mol |
| Molecular Formula | C9H8BrN3 |
| Exact Mass | 236.99016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gb5QHz5gaC |
|---|---|
| Name | 3-Amino-1-(3-bromophenyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.990160270 u |
| Formula | C9H8BrN3 |
| InChI | InChI=1S/C9H8BrN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-6H,(H2,11,12) |
| InChIKey | YSUZUBFTGPHXTN-UHFFFAOYSA-N |
| Molecular Weight | 238.088 g/mol |
| SMILES | C1(=NN(C=C1)C1=CC(Br)=CC=C1)N |