![Methyl 2-[1-(2-chlorophenyl)-5-hydroxypyrazol-3-yl]acetate](/api/spectrum/16mfVq4aj5C/structure.png?h=300&w=458 "Methyl 2-[1-(2-chlorophenyl)-5-hydroxypyrazol-3-yl]acetate")
| SpectraBase Compound ID | IX3FAtZnWOD |
|---|---|
| InChI | InChI=1S/C12H11ClN2O3/c1-18-12(17)7-8-6-11(16)15(14-8)10-5-3-2-4-9(10)13/h2-6,16H,7H2,1H3 |
| InChIKey | UAUZQCNSSYMAGD-UHFFFAOYSA-N |
| Mol Weight | 266.68 g/mol |
| Molecular Formula | C12H11ClN2O3 |
| Exact Mass | 266.04582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16mfVq4aj5C |
|---|---|
| Name | Methyl 2-[1-(2-chlorophenyl)-5-hydroxypyrazol-3-yl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.045819919 u |
| Formula | C12H11ClN2O3 |
| InChI | InChI=1S/C12H11ClN2O3/c1-18-12(17)7-8-6-11(16)15(14-8)10-5-3-2-4-9(10)13/h2-6,16H,7H2,1H3 |
| InChIKey | UAUZQCNSSYMAGD-UHFFFAOYSA-N |
| Molecular Weight | 266.684 g/mol |
| SMILES | C1=CC=C(N2C(=CC(=N2)CC(=O)OC)O)C(=C1)Cl |