| SpectraBase Compound ID | CHwO8bf5bDt |
|---|---|
| InChI | InChI=1S/C9H11BrO3/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5,11-12H,3-4,6H2 |
| InChIKey | YSKINKWMKLJUMS-UHFFFAOYSA-N |
| Mol Weight | 247.09 g/mol |
| Molecular Formula | C9H11BrO3 |
| Exact Mass | 245.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HXpNeRqA0Ag |
|---|---|
| Name | Ethanol, 2-(4-bromo-2-hydroxymethylphenoxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.989157211 u |
| Formula | C9H11BrO3 |
| InChI | InChI=1S/C9H11BrO3/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5,11-12H,3-4,6H2 |
| InChIKey | YSKINKWMKLJUMS-UHFFFAOYSA-N |
| Molecular Weight | 247.088 g/mol |
| SMILES | C1(=C(C=CC(=C1)Br)OCCO)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966886 |