| SpectraBase Compound ID | IX6JbraOsgD |
|---|---|
| InChI | InChI=1S/C6H6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H |
| InChIKey | QFQZKISCBJKVHI-UHFFFAOYSA-N |
| Mol Weight | 557.54 g/mol |
| Molecular Formula | C6H6Br6 |
| Exact Mass | 551.556978 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 33CZ3xYEbn6 |
|---|---|
| Name | 1,2,3,4,5,6-Hexabromocyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 551.556978193 u |
| Formula | C6H6Br6 |
| InChI | InChI=1S/C6H6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H |
| InChIKey | QFQZKISCBJKVHI-UHFFFAOYSA-N |
| Molecular Weight | 557.538 g/mol |
| SMILES | C1(C(C(C(C(C1Br)Br)Br)Br)Br)Br |
| Spectrum/Structure Validation Score (Raman) | 0.877075 |