| SpectraBase Compound ID | AMT5oI8rZam |
|---|---|
| InChI | InChI=1S/C8H9BrO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2 |
| InChIKey | ROZCBWIJUCJEKY-UHFFFAOYSA-N |
| Mol Weight | 217.06 g/mol |
| Molecular Formula | C8H9BrO2 |
| Exact Mass | 215.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6xRLHs22PZF |
|---|---|
| Name | 2-(3-Bromanylphenoxy)ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.978592528 u |
| Formula | C8H9BrO2 |
| InChI | InChI=1S/C8H9BrO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2 |
| InChIKey | ROZCBWIJUCJEKY-UHFFFAOYSA-N |
| Molecular Weight | 217.062 g/mol |
| SMILES | C=1C(Br)=CC=CC1OCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913295 |