| SpectraBase Compound ID | gQUWJV3ldo |
|---|---|
| InChI | InChI=1S/C11H11BrO/c1-3-7-13-11-6-5-10(12)8-9(11)4-2/h3-6,8H,1-2,7H2 |
| InChIKey | NVGXBHABCFITGU-UHFFFAOYSA-N |
| Mol Weight | 239.11 g/mol |
| Molecular Formula | C11H11BrO |
| Exact Mass | 237.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8rIRu5dAcrf |
|---|---|
| Name | 1-(Allyloxy)-4-bromo-2-vinylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.999327973 u |
| Formula | C11H11BrO |
| InChI | InChI=1S/C11H11BrO/c1-3-7-13-11-6-5-10(12)8-9(11)4-2/h3-6,8H,1-2,7H2 |
| InChIKey | NVGXBHABCFITGU-UHFFFAOYSA-N |
| Molecular Weight | 239.112 g/mol |
| SMILES | C1(=C(C=CC(=C1)Br)OCC=C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945621 |