| SpectraBase Compound ID | LKl6yORzNUB |
|---|---|
| InChI | InChI=1S/C9H10ClIO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2 |
| InChIKey | WDEWLZAYCNEFSQ-UHFFFAOYSA-N |
| Mol Weight | 296.54 g/mol |
| Molecular Formula | C9H10ClIO |
| Exact Mass | 295.946488 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BwuIqzkDupc |
|---|---|
| Name | 3-Chloro-1-(4-iodophenyl)propan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.946487641 u |
| Formula | C9H10ClIO |
| InChI | InChI=1S/C9H10ClIO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2 |
| InChIKey | WDEWLZAYCNEFSQ-UHFFFAOYSA-N |
| Molecular Weight | 296.535 g/mol |
| SMILES | C=1(C=CC(=CC1)I)C(CCCl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958994 |