| SpectraBase Compound ID | HDRNu9PlqiW |
|---|---|
| InChI | InChI=1S/C9H11BrO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7H2,1H3 |
| InChIKey | UIIJKBSUGZNVQN-UHFFFAOYSA-N |
| Mol Weight | 215.09 g/mol |
| Molecular Formula | C9H11BrO |
| Exact Mass | 213.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JE3XQ7OJPyT |
|---|---|
| Name | Benzene, 1-(2-bromoethyl)-2-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.999327973 u |
| Formula | C9H11BrO |
| InChI | InChI=1S/C9H11BrO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7H2,1H3 |
| InChIKey | UIIJKBSUGZNVQN-UHFFFAOYSA-N |
| Molecular Weight | 215.090 g/mol |
| SMILES | C1=C(C(=CC=C1)CCBr)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904031 |