![Ethyl [5-(4-chlorophenyl)-1H-pyrazol-3-yl]acetate](/api/spectrum/6APWTUhh2Rd/structure.png?h=300&w=458 "Ethyl [5-(4-chlorophenyl)-1H-pyrazol-3-yl]acetate")
| SpectraBase Compound ID | 4T78jpLOXsn |
|---|---|
| InChI | InChI=1S/C13H13ClN2O2/c1-2-18-13(17)8-11-7-12(16-15-11)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,16) |
| InChIKey | FICCAHNULWJBJG-UHFFFAOYSA-N |
| Mol Weight | 264.71 g/mol |
| Molecular Formula | C13H13ClN2O2 |
| Exact Mass | 264.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6APWTUhh2Rd |
|---|---|
| Name | Ethyl [5-(4-chlorophenyl)-1H-pyrazol-3-yl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.066555365 u |
| Formula | C13H13ClN2O2 |
| InChI | InChI=1S/C13H13ClN2O2/c1-2-18-13(17)8-11-7-12(16-15-11)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,16) |
| InChIKey | FICCAHNULWJBJG-UHFFFAOYSA-N |
| SMILES | C(CC1=NNC(=C1)C=1C=CC(=CC1)Cl)(=O)OCC |