| SpectraBase Compound ID | BB7NPfZd2hB |
|---|---|
| InChI | InChI=1S/C10H13Br/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7H,1-3H3 |
| InChIKey | XMIWWDSQSRUTKQ-UHFFFAOYSA-N |
| Mol Weight | 213.12 g/mol |
| Molecular Formula | C10H13Br |
| Exact Mass | 212.020063 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 58QQIEzaJI7 |
|---|---|
| Name | 2-Bromo-1-isopropyl-4-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.020063419 u |
| Formula | C10H13Br |
| InChI | InChI=1S/C10H13Br/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7H,1-3H3 |
| InChIKey | XMIWWDSQSRUTKQ-UHFFFAOYSA-N |
| Molecular Weight | 213.118 g/mol |
| SMILES | C1(Br)=CC(C)=CC=C1C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.830478 |