![1-[4-(2,4-dichlorophenoxy)butanoyl]-1H-pyrazole](/api/spectrum/YDdVWkyx0C/structure.png?h=300&w=458 "1-[4-(2,4-dichlorophenoxy)butanoyl]-1H-pyrazole")
| SpectraBase Compound ID | Ce60lnay8hE |
|---|---|
| InChI | InChI=1S/C13H12Cl2N2O2/c14-10-4-5-12(11(15)9-10)19-8-1-3-13(18)17-7-2-6-16-17/h2,4-7,9H,1,3,8H2 |
| InChIKey | MGHJNYWLQZERQS-UHFFFAOYSA-N |
| Mol Weight | 299.16 g/mol |
| Molecular Formula | C13H12Cl2N2O2 |
| Exact Mass | 298.027583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YDdVWkyx0C |
|---|---|
| Name | 1-[4-(2,4-Dichlorophenoxy)butanoyl]-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.027583032 u |
| Formula | C13H12Cl2N2O2 |
| InChI | InChI=1S/C13H12Cl2N2O2/c14-10-4-5-12(11(15)9-10)19-8-1-3-13(18)17-7-2-6-16-17/h2,4-7,9H,1,3,8H2 |
| InChIKey | MGHJNYWLQZERQS-UHFFFAOYSA-N |
| Molecular Weight | 299.157 g/mol |
| SMILES | C(COC=1C(=CC(=CC1)Cl)Cl)CC(N1N=CC=C1)=O |