| SpectraBase Compound ID | DosXnlyoxDF |
|---|---|
| InChI | InChI=1S/C10H9ClO3/c1-7(12)14-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3 |
| InChIKey | FVPDGYGSHDQTJL-UHFFFAOYSA-N |
| Mol Weight | 212.63 g/mol |
| Molecular Formula | C10H9ClO3 |
| Exact Mass | 212.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AVkwLOIZM7h |
|---|---|
| Name | 2-Acetoxy-1-(2-chlorophenyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.024021847 u |
| Formula | C10H9ClO3 |
| InChI | InChI=1S/C10H9ClO3/c1-7(12)14-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3 |
| InChIKey | FVPDGYGSHDQTJL-UHFFFAOYSA-N |
| Molecular Weight | 212.632 g/mol |
| SMILES | C(COC(=O)C)(C=1C(=CC=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937462 |