| SpectraBase Compound ID | D71yDt2c64i |
|---|---|
| InChI | InChI=1S/C11H10Cl2O3/c1-3-10(15)8-4-7(12)5-9(13)11(8)16-6(2)14/h4-5H,3H2,1-2H3 |
| InChIKey | UJPSRZFIPLYTBK-UHFFFAOYSA-N |
| Mol Weight | 261.1 g/mol |
| Molecular Formula | C11H10Cl2O3 |
| Exact Mass | 260.0007 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3a6QXDgfcKB |
|---|---|
| Name | 1-(3,5-Dichloro-2-acetoxyphenyl)propan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.000699579 u |
| Formula | C11H10Cl2O3 |
| InChI | InChI=1S/C11H10Cl2O3/c1-3-10(15)8-4-7(12)5-9(13)11(8)16-6(2)14/h4-5H,3H2,1-2H3 |
| InChIKey | UJPSRZFIPLYTBK-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C(=CC(=C1)Cl)C(=O)CC)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868999 |