| SpectraBase Compound ID | IBrKGyIxwl6 |
|---|---|
| InChI | InChI=1S/C12H10Cl2O2/c13-10-2-1-3-11(14)12(10)7-4-8(15)6-9(16)5-7/h1-3,6-7,15H,4-5H2 |
| InChIKey | QBIJVIRMVCHNEC-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 | 6ACtFZT07wv |
|---|---|
| Name | 5-(2,6-Dichlorophenyl)-3-hydroxy-2-cyclohexen-1-one |
| 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/h1-3,6-7,15H,4-5H2 |
| InChIKey | QBIJVIRMVCHNEC-UHFFFAOYSA-N |
| SMILES | OC=1CC(CC(C1)=O)C1=C(C=CC=C1Cl)Cl |