| SpectraBase Compound ID | LDM4ZPwAazk |
|---|---|
| InChI | InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
| InChIKey | ZBTMRBYMKUEVEU-UHFFFAOYSA-N |
| Mol Weight | 171.04 g/mol |
| Molecular Formula | C7H7Br |
| Exact Mass | 169.973113 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5XXEnZcBbB2 |
|---|---|
| Name | p-Bromotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.973113225 u |
| Formula | C7H7Br |
| InChI | InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
| InChIKey | ZBTMRBYMKUEVEU-UHFFFAOYSA-N |
| Molecular Weight | 171.037 g/mol |
| SMILES | C1=C(Br)C=CC(C)=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.913691 |