| SpectraBase Compound ID | 53lQS5iKOS5 |
|---|---|
| InChI | InChI=1S/C8H13BrO/c9-8-4-2-1-3-7(8)5-6-10/h4,7,10H,1-3,5-6H2 |
| InChIKey | LFEKIROZUVSKMA-UHFFFAOYSA-N |
| Mol Weight | 205.09 g/mol |
| Molecular Formula | C8H13BrO |
| Exact Mass | 204.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7mbprFyXmPJ |
|---|---|
| Name | 2-(2'-Bromocyclohex-2'-enyl)-ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.014978038 u |
| Formula | C8H13BrO |
| InChI | InChI=1S/C8H13BrO/c9-8-4-2-1-3-7(8)5-6-10/h4,7,10H,1-3,5-6H2 |
| InChIKey | LFEKIROZUVSKMA-UHFFFAOYSA-N |
| Molecular Weight | 205.095 g/mol |
| SMILES | C1(=CCCCC1CCO)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91463 |