| SpectraBase Compound ID | 42YT5QkSctG |
|---|---|
| InChI | InChI=1S/C9H11IO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | HNCFIODZWZMBOB-UHFFFAOYSA-N |
| Mol Weight | 310.15 g/mol |
| Molecular Formula | C9H11IO2S |
| Exact Mass | 309.952446 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ACqwe7xe41O |
|---|---|
| Name | 3-Iodanylpropylsulfonylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.952445766 u |
| Formula | C9H11IO2S |
| InChI | InChI=1S/C9H11IO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | HNCFIODZWZMBOB-UHFFFAOYSA-N |
| Molecular Weight | 310.149 g/mol |
| SMILES | C=1(S(=O)(=O)CCCI)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856898 |