| SpectraBase Compound ID | 5qg1tIKexxN |
|---|---|
| InChI | InChI=1S/C11H13Br/c1-9(2)3-4-10-5-7-11(12)8-6-10/h3-9H,1-2H3/b4-3- |
| InChIKey | RYSVCJCBISYDKG-ARJAWSKDSA-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 | 5fdqAYARAt8 |
|---|---|
| Name | 1-Bromo-4-(3-methylbut-1-en-1-yl)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)3-4-10-5-7-11(12)8-6-10/h3-9H,1-2H3/b4-3- |
| InChIKey | RYSVCJCBISYDKG-ARJAWSKDSA-N |
| Molecular Weight | 225.129 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)\C=C/C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820913 |