![3-Methylbicyclo[3.2.1]oct-3-en-6-one](/api/spectrum/5Tjg8wtqJG4/structure.png?h=300&w=458 "3-Methylbicyclo[3.2.1]oct-3-en-6-one")
| SpectraBase Compound ID | 2qLQkMlMQNB |
|---|---|
| InChI | InChI=1S/C9H12O/c1-6-2-7-4-8(3-6)9(10)5-7/h3,7-8H,2,4-5H2,1H3 |
| InChIKey | KHJMYRRIISXLAW-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Tjg8wtqJG4 |
|---|---|
| Name | 3-Methylbicyclo[3.2.1]oct-3-en-6-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.088815005 u |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-6-2-7-4-8(3-6)9(10)5-7/h3,7-8H,2,4-5H2,1H3 |
| InChIKey | KHJMYRRIISXLAW-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C12C=C(C)CC(C2)CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947384 |