![Methyl 2-[5-hydroxy-1-(2-methylphenyl)pyrazol-3-yl]acetate](/api/spectrum/IGtensrYpez/structure.png?h=300&w=458 "Methyl 2-[5-hydroxy-1-(2-methylphenyl)pyrazol-3-yl]acetate")
| SpectraBase Compound ID | KLqXgdFPmHK |
|---|---|
| InChI | InChI=1S/C13H14N2O3/c1-9-5-3-4-6-11(9)15-12(16)7-10(14-15)8-13(17)18-2/h3-7,16H,8H2,1-2H3 |
| InChIKey | AZTCXLQCLCLEAA-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C13H14N2O3 |
| Exact Mass | 246.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGtensrYpez |
|---|---|
| Name | Methyl 2-[5-hydroxy-1-(2-methylphenyl)pyrazol-3-yl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.100442316 u |
| Formula | C13H14N2O3 |
| InChI | InChI=1S/C13H14N2O3/c1-9-5-3-4-6-11(9)15-12(16)7-10(14-15)8-13(17)18-2/h3-7,16H,8H2,1-2H3 |
| InChIKey | AZTCXLQCLCLEAA-UHFFFAOYSA-N |
| Molecular Weight | 246.266 g/mol |
| SMILES | C1=CC=C(N2C(=CC(=N2)CC(=O)OC)O)C(=C1)C |