| SpectraBase Compound ID | HbtO6wCJCfp |
|---|---|
| InChI | InChI=1S/C11H13Br/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-7H,8H2,1-2H3 |
| InChIKey | NDHGSMZLHAONPY-UHFFFAOYSA-N |
| Mol Weight | 225.13 g/mol |
| Molecular Formula | C11H13Br |
| Exact Mass | 224.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1lnHDUx9eNE |
|---|---|
| Name | 1-Bromo-2-(3-methylbut-2-enyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.020063419 u |
| Formula | C11H13Br |
| InChI | InChI=1S/C11H13Br/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-7H,8H2,1-2H3 |
| InChIKey | NDHGSMZLHAONPY-UHFFFAOYSA-N |
| Molecular Weight | 225.129 g/mol |
| SMILES | C1=CC(=C(C=C1)Br)CC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881806 |