![Bicyclo[3.2.1]oct-6-en-3-one](/api/spectrum/7RADyCa5Ijq/structure.png?h=300&w=458 "Bicyclo[3.2.1]oct-6-en-3-one")
| SpectraBase Compound ID | 8bDfSdlnWZB |
|---|---|
| InChI | InChI=1S/C8H10O/c9-8-4-6-1-2-7(3-6)5-8/h1-2,6-7H,3-5H2/t6-,7+ |
| InChIKey | MOIRENACJWWHPJ-UHFFFAOYSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C8H10O |
| Exact Mass | 122.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7RADyCa5Ijq |
|---|---|
| Name | Bicyclo[3.2.1]oct-6-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.073164941 u |
| Formula | C8H10O |
| InChI | InChI=1S/C8H10O/c9-8-4-6-1-2-7(3-6)5-8/h1-2,6-7H,3-5H2 |
| InChIKey | MOIRENACJWWHPJ-UHFFFAOYSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C1(=O)CC2C=CC(C1)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962859 |