![3,3-Dimethylbicyclo[4.3.0]non-6-en-8-one](/api/spectrum/Jh1dRnb9dH0/structure.png?h=300&w=458 "3,3-Dimethylbicyclo[4.3.0]non-6-en-8-one")
| SpectraBase Compound ID | 1tIMp1pHP8M |
|---|---|
| InChI | InChI=1S/C11H16O/c1-11(2)4-3-8-5-10(12)6-9(8)7-11/h5,9H,3-4,6-7H2,1-2H3 |
| InChIKey | XMBVPYHNSJSSOJ-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jh1dRnb9dH0 |
|---|---|
| Name | 3,3-Dimethylbicyclo[4.3.0]non-6-en-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-11(2)4-3-8-5-10(12)6-9(8)7-11/h5,9H,3-4,6-7H2,1-2H3 |
| InChIKey | XMBVPYHNSJSSOJ-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C12CC(CCC2=CC(C1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918074 |