![Bicyclo-[2.2.2]-octan-2-on](/api/spectrum/AmxG9WgJu0W/structure.png?h=300&w=458 "Bicyclo-[2.2.2]-octan-2-on")
| SpectraBase Compound ID | Ia228dy1bPk |
|---|---|
| InChI | InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2/t6-,7+ |
| InChIKey | VEPYQCZRVLNDBC-KNVOCYPGSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AmxG9WgJu0W |
|---|---|
| Name | Bicyclo-[2.2.2]-octan-2-on |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2/t6-,7+ |
| InChIKey | VEPYQCZRVLNDBC-KNVOCYPGSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1(=O)[C@]2(CC[C@@](C1)(CC2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912019 |