| SpectraBase Compound ID | 1b5fiUrprOR |
|---|---|
| InChI | InChI=1S/C13H11IO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8,15H,9H2 |
| InChIKey | MZZAVJVDQDFIFU-UHFFFAOYSA-N |
| Mol Weight | 326.13 g/mol |
| Molecular Formula | C13H11IO2 |
| Exact Mass | 325.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ngNAw4HJ4D |
|---|---|
| Name | (2-(4-Iodophenoxy)phenyl)methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.980374592 u |
| Formula | C13H11IO2 |
| InChI | InChI=1S/C13H11IO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8,15H,9H2 |
| InChIKey | MZZAVJVDQDFIFU-UHFFFAOYSA-N |
| Molecular Weight | 326.133 g/mol |
| SMILES | C(O)C=1C=CC=CC1OC=1C=CC(I)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937651 |