| SpectraBase Compound ID | FSVQyGEFeQJ |
|---|---|
| InChI | InChI=1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3 |
| InChIKey | FWLWTILKTABGKQ-UHFFFAOYSA-N |
| Mol Weight | 185.06 g/mol |
| Molecular Formula | C8H9Br |
| Exact Mass | 183.988763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CJ51gmh9PZx |
|---|---|
| Name | alpha-Bromo-m-xylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.988763290 u |
| Formula | C8H9Br |
| InChI | InChI=1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3 |
| InChIKey | FWLWTILKTABGKQ-UHFFFAOYSA-N |
| Molecular Weight | 185.064 g/mol |
| SMILES | C=1C(=CC=CC1C)CBr |
| Spectrum/Structure Validation Score (Raman) | 0.964403 |