| SpectraBase Compound ID | 74e8jcf0OZu |
|---|---|
| InChI | InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | XJWVCWQKZQENDS-UHFFFAOYSA-N |
| Mol Weight | 199.09 g/mol |
| Molecular Formula | C9H11Br |
| Exact Mass | 198.004413 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8l3AVQe1Zx1 |
|---|---|
| Name | beta-Bromocumene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.004413354 u |
| Formula | C9H11Br |
| InChI | InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | XJWVCWQKZQENDS-UHFFFAOYSA-N |
| Molecular Weight | 199.091 g/mol |
| SMILES | C=1C(=CC=CC1)C(CBr)C |
| Spectrum/Structure Validation Score (Raman) | 0.990636 |