| SpectraBase Compound ID | 3ObNu7rPMT6 |
|---|---|
| InChI | InChI=1S/C16H17Br/c1-16(2,3)13-9-10-14(15(17)11-13)12-7-5-4-6-8-12/h4-11H,1-3H3 |
| InChIKey | LIZKQBDOYADUBK-UHFFFAOYSA-N |
| Mol Weight | 289.22 g/mol |
| Molecular Formula | C16H17Br |
| Exact Mass | 288.051364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K4jlCtKZfXl |
|---|---|
| Name | 2-Bromo-4-(T-butyl)-biphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.051363547 u |
| Formula | C16H17Br |
| InChI | InChI=1S/C16H17Br/c1-16(2,3)13-9-10-14(15(17)11-13)12-7-5-4-6-8-12/h4-11H,1-3H3 |
| InChIKey | LIZKQBDOYADUBK-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC=C(C1)C(C)(C)C)C1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927332 |