| SpectraBase Compound ID | KFLown7YBzQ |
|---|---|
| InChI | InChI=1S/C8H6ClIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | LJKQIBWZNUCGSG-UHFFFAOYSA-N |
| Mol Weight | 280.49 g/mol |
| Molecular Formula | C8H6ClIO |
| Exact Mass | 279.915188 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BPaWEQQOcI2 |
|---|---|
| Name | 2-Chloro-1-(4-iodophenyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.915187512 u |
| Formula | C8H6ClIO |
| InChI | InChI=1S/C8H6ClIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | LJKQIBWZNUCGSG-UHFFFAOYSA-N |
| Molecular Weight | 280.492 g/mol |
| SMILES | C1(I)=CC=C(C=C1)C(=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945422 |