![1,3-Cyclohexanedione, 5-[2,6-dichlorophenyl]-](/api/spectrum/5tkQdE4ABpf/structure.png?h=300&w=458 "1,3-Cyclohexanedione, 5-[2,6-dichlorophenyl]-")
| SpectraBase Compound ID | 4KALroXntON |
|---|---|
| InChI | InChI=1S/C12H10Cl2O2/c13-10-2-1-3-11(14)12(10)7-4-8(15)6-9(16)5-7/h1-3,7H,4-6H2 |
| InChIKey | XFSFQUOJDRNZIT-UHFFFAOYSA-N |
| Mol Weight | 257.12 g/mol |
| Molecular Formula | C12H10Cl2O2 |
| Exact Mass | 256.005785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tkQdE4ABpf |
|---|---|
| Name | 1,3-Cyclohexanedione, 5-[2,6-dichlorophenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.005784960 u |
| Formula | C12H10Cl2O2 |
| InChI | InChI=1S/C12H10Cl2O2/c13-10-2-1-3-11(14)12(10)7-4-8(15)6-9(16)5-7/h1-3,7H,4-6H2 |
| InChIKey | XFSFQUOJDRNZIT-UHFFFAOYSA-N |
| SMILES | C1=CC(=C(C(=C1)Cl)C1CC(CC(C1)=O)=O)Cl |