| SpectraBase Compound ID | 2eEAaaST6yC |
|---|---|
| InChI | InChI=1S/C15H10Cl2O/c16-13-8-6-11(10-14(13)17)7-9-15(18)12-4-2-1-3-5-12/h1-10H/b9-7+ |
| InChIKey | QWYKPZUFPSREFT-VQHVLOKHSA-N |
| Mol Weight | 277.15 g/mol |
| Molecular Formula | C15H10Cl2O |
| Exact Mass | 276.01087 g/mol |
| SpectraBase Spectrum ID | BnpNy9fs9JT |
|---|---|
| Name | Trans-3,4-dichlorochalcone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.010870341 u |
| Formula | C15H10Cl2O |
| InChI | InChI=1S/C15H10Cl2O/c16-13-8-6-11(10-14(13)17)7-9-15(18)12-4-2-1-3-5-12/h1-10H/b9-7+ |
| InChIKey | QWYKPZUFPSREFT-VQHVLOKHSA-N |
| SMILES | C=1C(=CC=CC1)C(\C=C\C=1C=CC(=C(Cl)C1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.995203 |