| SpectraBase Compound ID | FaL04hQxFRK |
|---|---|
| InChI | InChI=1S/C11H8N2O4/c14-11(15)8-4-7(12-13-8)6-1-2-9-10(3-6)17-5-16-9/h1-4H,5H2,(H,12,13)(H,14,15) |
| InChIKey | LMXODXZANYFXPY-UHFFFAOYSA-N |
| Mol Weight | 232.19 g/mol |
| Molecular Formula | C11H8N2O4 |
| Exact Mass | 232.048407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtMv8yz4Z9K |
|---|---|
| Name | 1H-Pyrazole-5-carboxylic acid, 3-(1,3-benzodioxol-5-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.048406742 u |
| Formula | C11H8N2O4 |
| InChI | InChI=1S/C11H8N2O4/c14-11(15)8-4-7(12-13-8)6-1-2-9-10(3-6)17-5-16-9/h1-4H,5H2,(H,12,13)(H,14,15) |
| InChIKey | LMXODXZANYFXPY-UHFFFAOYSA-N |
| Molecular Weight | 232.195 g/mol |
| SMILES | C1(=CC(C=2C=C3OCOC3=CC2)=NN1)C(=O)O |