![1,3-Cyclohexanedione, 5-[2,4-dichlorophenyl]-](/api/spectrum/Ho94Tsck23h/structure.png?h=300&w=458 "1,3-Cyclohexanedione, 5-[2,4-dichlorophenyl]-")
| SpectraBase Compound ID | IqtpAZySeMC |
|---|---|
| InChI | InChI=1S/C12H10Cl2O2/c13-8-1-2-11(12(14)5-8)7-3-9(15)6-10(16)4-7/h1-2,5,7H,3-4,6H2 |
| InChIKey | YZKLUEWQADEGKP-UHFFFAOYSA-N |
| Mol Weight | 257.12 g/mol |
| Molecular Formula | C12H10Cl2O2 |
| Exact Mass | 256.005785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ho94Tsck23h |
|---|---|
| Name | 1,3-Cyclohexanedione, 5-[2,4-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/c13-8-1-2-11(12(14)5-8)7-3-9(15)6-10(16)4-7/h1-2,5,7H,3-4,6H2 |
| InChIKey | YZKLUEWQADEGKP-UHFFFAOYSA-N |
| SMILES | C1(=CC(=C(C=C1)C1CC(CC(C1)=O)=O)Cl)Cl |