| SpectraBase Compound ID | CGi2B8W2JYd |
|---|---|
| InChI | InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15) |
| InChIKey | IEQRHIQFNLEJMF-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C11H10N2O3 |
| Exact Mass | 218.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZHCWVh1HJN |
|---|---|
| Name | 3-(3-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.069142187 u |
| Formula | C11H10N2O3 |
| InChI | InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15) |
| InChIKey | IEQRHIQFNLEJMF-UHFFFAOYSA-N |
| Molecular Weight | 218.212 g/mol |
| SMILES | C1(=CC(C=2C=C(OC)C=CC2)=NN1)C(=O)O |