| SpectraBase Compound ID | 5MprVDjMiWg |
|---|---|
| InChI | InChI=1S/C12H13BrO/c1-3-5-10-9-11(13)6-7-12(10)14-8-4-2/h3-4,6-7,9H,1-2,5,8H2 |
| InChIKey | MGQBOTYSZRBHJW-UHFFFAOYSA-N |
| Mol Weight | 253.14 g/mol |
| Molecular Formula | C12H13BrO |
| Exact Mass | 252.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EKaRKQYAoau |
|---|---|
| Name | 2-Allyl-1-allyloxy-4-bromobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.014978038 u |
| Formula | C12H13BrO |
| InChI | InChI=1S/C12H13BrO/c1-3-5-10-9-11(13)6-7-12(10)14-8-4-2/h3-4,6-7,9H,1-2,5,8H2 |
| InChIKey | MGQBOTYSZRBHJW-UHFFFAOYSA-N |
| Molecular Weight | 253.139 g/mol |
| SMILES | C=1(C(=CC(=CC1)Br)CC=C)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950049 |