![[3-(4-Methoxyphenyl)pyrazol-1-yl]acetic acid](/api/spectrum/BvKlKHjONJd/structure.png?h=300&w=458 "[3-(4-Methoxyphenyl)pyrazol-1-yl]acetic acid")
| SpectraBase Compound ID | KqEhzLM9bvF |
|---|---|
| InChI | InChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)11-6-7-14(13-11)8-12(15)16/h2-7H,8H2,1H3,(H,15,16) |
| InChIKey | HRGBMNMEZRJNAK-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvKlKHjONJd |
|---|---|
| Name | [3-(4-Methoxyphenyl)pyrazol-1-yl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.084792251 u |
| Formula | C12H12N2O3 |
| InChI | InChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)11-6-7-14(13-11)8-12(15)16/h2-7H,8H2,1H3,(H,15,16) |
| InChIKey | HRGBMNMEZRJNAK-UHFFFAOYSA-N |
| Molecular Weight | 232.239 g/mol |
| SMILES | C=1N(CC(O)=O)N=C(C1)C1=CC=C(C=C1)OC |