![Bicyclo[6.3.1]dodec-8-en-10-one](/api/spectrum/CPGJHe2IUWs/structure.png?h=300&w=458 "Bicyclo[6.3.1]dodec-8-en-10-one")
| SpectraBase Compound ID | Lkxfw6F0loP |
|---|---|
| InChI | InChI=1S/C12H18O/c13-12-8-10-5-3-1-2-4-6-11(7-10)9-12/h8,11H,1-7,9H2 |
| InChIKey | LDCYSURGSPRJPQ-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CPGJHe2IUWs |
|---|---|
| Name | Bicyclo[6.3.1]dodec-8-en-10-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c13-12-8-10-5-3-1-2-4-6-11(7-10)9-12/h8,11H,1-7,9H2 |
| InChIKey | LDCYSURGSPRJPQ-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C12=CC(=O)CC(C2)CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951797 |