| SpectraBase Compound ID | 7TUhDhgdsBf |
|---|---|
| InChI | InChI=1S/C9H11IO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3 |
| InChIKey | KIFWITFXDKZMJA-UHFFFAOYSA-N |
| Mol Weight | 262.09 g/mol |
| Molecular Formula | C9H11IO |
| Exact Mass | 261.98546 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fxxtpcq5uTG |
|---|---|
| Name | 2-(4-Iodophenyl)-2-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.985459973 u |
| Formula | C9H11IO |
| InChI | InChI=1S/C9H11IO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3 |
| InChIKey | KIFWITFXDKZMJA-UHFFFAOYSA-N |
| Molecular Weight | 262.090 g/mol |
| SMILES | C(C=1C=CC(=CC1)I)(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867934 |