![Bicyclo[2.2.2]octane, 1-bromo-4-methyl-](/api/spectrum/LNbpyeB5ziy/structure.png?h=300&w=458 "Bicyclo[2.2.2]octane, 1-bromo-4-methyl-")
| SpectraBase Compound ID | BXCnb53RWft |
|---|---|
| InChI | InChI=1S/C9H15Br/c1-8-2-5-9(10,6-3-8)7-4-8/h2-7H2,1H3 |
| InChIKey | ULVFCNAPUWBYEJ-UHFFFAOYSA-N |
| Mol Weight | 203.12 g/mol |
| Molecular Formula | C9H15Br |
| Exact Mass | 202.035713 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LNbpyeB5ziy |
|---|---|
| Name | 1-Bromo-4-methylbicyclo[2.2.2]octane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.035713483 u |
| Formula | C9H15Br |
| InChI | InChI=1S/C9H15Br/c1-8-2-5-9(10,6-3-8)7-4-8/h2-7H2,1H3 |
| InChIKey | ULVFCNAPUWBYEJ-UHFFFAOYSA-N |
| Molecular Weight | 203.123 g/mol |
| SMILES | C12(Br)CCC(CC2)(C)CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.953463 |