| SpectraBase Compound ID | JmDw4pPRx8m |
|---|---|
| InChI | InChI=1S/C14H21BrO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3 |
| InChIKey | DIWZVAHZEOFSLS-UHFFFAOYSA-N |
| Mol Weight | 285.22 g/mol |
| Molecular Formula | C14H21BrO |
| Exact Mass | 284.077578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6EmWs9nwqHg |
|---|---|
| Name | 2-Bromo-4,6-di-tert-butylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.077578295 u |
| Formula | C14H21BrO |
| InChI | InChI=1S/C14H21BrO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3 |
| InChIKey | DIWZVAHZEOFSLS-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915238 |