| SpectraBase Compound ID | wnnALWnbJj |
|---|---|
| InChI | InChI=1S/C9H9IO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,1-2H3 |
| InChIKey | BMUDGSSRVPNBJV-UHFFFAOYSA-N |
| Mol Weight | 260.07 g/mol |
| Molecular Formula | C9H9IO |
| Exact Mass | 259.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9YOu0mKYQWk |
|---|---|
| Name | 1-(2-Iodo-3-methylphenyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.969809909 u |
| Formula | C9H9IO |
| InChI | InChI=1S/C9H9IO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,1-2H3 |
| InChIKey | BMUDGSSRVPNBJV-UHFFFAOYSA-N |
| Molecular Weight | 260.074 g/mol |
| SMILES | C(=O)(C=1C=CC=C(C1I)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927899 |