![1,3-Cyclohexanedione, 5-[3-chlorophenyl]-](/api/spectrum/2D5bWREcAmI/structure.png?h=300&w=458 "1,3-Cyclohexanedione, 5-[3-chlorophenyl]-")
| SpectraBase Compound ID | HGtrNvJ47DU |
|---|---|
| InChI | InChI=1S/C12H11ClO2/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2 |
| InChIKey | YSNSALYPQQBIDC-UHFFFAOYSA-N |
| Mol Weight | 222.67 g/mol |
| Molecular Formula | C12H11ClO2 |
| Exact Mass | 222.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2D5bWREcAmI |
|---|---|
| Name | 1,3-Cyclohexanedione, 5-[3-chlorophenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.044757292 u |
| Formula | C12H11ClO2 |
| InChI | InChI=1S/C12H11ClO2/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2 |
| InChIKey | YSNSALYPQQBIDC-UHFFFAOYSA-N |
| Molecular Weight | 222.671 g/mol |
| SMILES | C1=C(C=C(C=C1)C1CC(CC(C1)=O)=O)Cl |