| SpectraBase Compound ID | IgQS1COi84c |
|---|---|
| InChI | InChI=1S/C9H14BrN3/c10-9-7-11-13(8-9)6-5-12-3-1-2-4-12/h7-8H,1-6H2 |
| InChIKey | VFWBITMEGMPKEF-UHFFFAOYSA-N |
| Mol Weight | 244.14 g/mol |
| Molecular Formula | C9H14BrN3 |
| Exact Mass | 243.03711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sknwfI9qrq |
|---|---|
| Name | 4-Bromo-1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.037110463 u |
| Formula | C9H14BrN3 |
| InChI | InChI=1S/C9H14BrN3/c10-9-7-11-13(8-9)6-5-12-3-1-2-4-12/h7-8H,1-6H2 |
| InChIKey | VFWBITMEGMPKEF-UHFFFAOYSA-N |
| Molecular Weight | 244.136 g/mol |
| SMILES | C=1(Br)C=NN(CCN2CCCC2)C1 |