| SpectraBase Compound ID | 2lQ7lu3HXQw |
|---|---|
| InChI | InChI=1S/C12H13BrO2/c1-3-7-14-11-6-5-10(13)9-12(11)15-8-4-2/h3-6,9H,1-2,7-8H2 |
| InChIKey | OSULSKXPKBVNBR-UHFFFAOYSA-N |
| Mol Weight | 269.14 g/mol |
| Molecular Formula | C12H13BrO2 |
| Exact Mass | 268.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3dU4iylzZ6M |
|---|---|
| Name | 1-Bromo-3,4-di(allyloxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.009892657 u |
| Formula | C12H13BrO2 |
| InChI | InChI=1S/C12H13BrO2/c1-3-7-14-11-6-5-10(13)9-12(11)15-8-4-2/h3-6,9H,1-2,7-8H2 |
| InChIKey | OSULSKXPKBVNBR-UHFFFAOYSA-N |
| SMILES | C=1(C=C(C(=CC1)OCC=C)OCC=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936718 |