| SpectraBase Compound ID | 6fAFCBSVnqT |
|---|---|
| InChI | InChI=1S/C7H13Br/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3 |
| InChIKey | KWQRRNDZNAXRGO-UHFFFAOYSA-N |
| Mol Weight | 177.08 g/mol |
| Molecular Formula | C7H13Br |
| Exact Mass | 176.020063 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JCqlIYZy0QJ |
|---|---|
| Name | 1-Bromo-2-methylcyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.020063419 u |
| Formula | C7H13Br |
| InChI | InChI=1S/C7H13Br/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3 |
| InChIKey | KWQRRNDZNAXRGO-UHFFFAOYSA-N |
| Molecular Weight | 177.085 g/mol |
| SMILES | CC1C(CCCC1)Br |
| Spectrum/Structure Validation Score (Raman) | 0.944859 |