| SpectraBase Compound ID | A5EUXsvfijk |
|---|---|
| InChI | InChI=1S/C6H7ClO2/c7-6-4(8)2-1-3-5(6)9/h6H,1-3H2 |
| InChIKey | ZJDBNSUHNOIEBS-UHFFFAOYSA-N |
| Mol Weight | 146.57 g/mol |
| Molecular Formula | C6H7ClO2 |
| Exact Mass | 146.013457 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8K8ge9P3fu0 |
|---|---|
| Name | 2-Chloro-1,3-cyclohexanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.013457163 u |
| Formula | C6H7ClO2 |
| InChI | InChI=1S/C6H7ClO2/c7-6-4(8)2-1-3-5(6)9/h6H,1-3H2 |
| InChIKey | ZJDBNSUHNOIEBS-UHFFFAOYSA-N |
| Molecular Weight | 146.573 g/mol |
| SMILES | C1CC(C(Cl)C(=O)C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.743229 |