| SpectraBase Compound ID | AxXGyUANZfy |
|---|---|
| InChI | InChI=1S/C4H4ClIO/c1-3(7)4(6)2-5/h2H,1H3/b4-2- |
| InChIKey | BQWVSTSMHNNQJS-RQOWECAXSA-N |
| Mol Weight | 230.43 g/mol |
| Molecular Formula | C4H4ClIO |
| Exact Mass | 229.899537 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4LZ6IAvTlEr |
|---|---|
| Name | 4-Chloro-3-iodo-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.899537448 u |
| Formula | C4H4ClIO |
| InChI | InChI=1S/C4H4ClIO/c1-3(7)4(6)2-5/h2H,1H3/b4-2- |
| InChIKey | BQWVSTSMHNNQJS-RQOWECAXSA-N |
| Molecular Weight | 230.432 g/mol |
| SMILES | CC(\C(=C\Cl)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957246 |