| SpectraBase Compound ID | 97YM3SpymTJ |
|---|---|
| InChI | InChI=1S/C11H15Br/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7H,1-4H3 |
| InChIKey | OFOWANXNJWKXOZ-UHFFFAOYSA-N |
| Mol Weight | 227.14 g/mol |
| Molecular Formula | C11H15Br |
| Exact Mass | 226.035713 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DfX7WVNkwcg |
|---|---|
| Name | 2-Bromo-1-tert-butyl-4-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.035713483 u |
| Formula | C11H15Br |
| InChI | InChI=1S/C11H15Br/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7H,1-4H3 |
| InChIKey | OFOWANXNJWKXOZ-UHFFFAOYSA-N |
| Molecular Weight | 227.145 g/mol |
| SMILES | C=1(C(=CC(=CC1)C)Br)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895098 |