| SpectraBase Compound ID | E9B1zYKZ1ML |
|---|---|
| InChI | InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12) |
| InChIKey | LOPAFWMOCZGHFX-UHFFFAOYSA-N |
| Mol Weight | 188.19 g/mol |
| Molecular Formula | C10H8N2O2 |
| Exact Mass | 188.058578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5eeUPVAHzTi |
|---|---|
| Name | 3-(2H-1,3-Benzodioxol-5-yl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.058577504 u |
| Formula | C10H8N2O2 |
| InChI | InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12) |
| InChIKey | LOPAFWMOCZGHFX-UHFFFAOYSA-N |
| Molecular Weight | 188.186 g/mol |
| SMILES | C1OC2=CC=C(C=3C=CNN3)C=C2O1 |