![[(E)-3-bromanylprop-2-enoxy]benzene](/api/spectrum/IG6tAi4BTf4/structure.png?h=300&w=458 "[(E)-3-bromanylprop-2-enoxy]benzene")
| SpectraBase Compound ID | DQdnMklNq3U |
|---|---|
| InChI | InChI=1S/C9H9BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | QWXJTQBRYCLKFD-QPJJXVBHSA-N |
| Mol Weight | 213.07 g/mol |
| Molecular Formula | C9H9BrO |
| Exact Mass | 211.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IG6tAi4BTf4 |
|---|---|
| Name | [(E)-3-Bromanylprop-2-enoxy]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.983677909 u |
| Formula | C9H9BrO |
| InChI | InChI=1S/C9H9BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | QWXJTQBRYCLKFD-QPJJXVBHSA-N |
| Molecular Weight | 213.074 g/mol |
| SMILES | C(\C=C\Br)OC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959296 |