![Spiro[4.7]dodec-3-en-2-one](/api/spectrum/A0FhtKFeI3s/structure.png?h=300&w=458 "Spiro[4.7]dodec-3-en-2-one")
| SpectraBase Compound ID | 2LGAsFyzJYO |
|---|---|
| InChI | InChI=1S/C12H18O/c13-11-6-9-12(10-11)7-4-2-1-3-5-8-12/h6,9H,1-5,7-8,10H2 |
| InChIKey | DACSIUOQKZRONM-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 | A0FhtKFeI3s |
|---|---|
| Name | Spiro[4.7]dodec-3-en-2-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/c13-11-6-9-12(10-11)7-4-2-1-3-5-8-12/h6,9H,1-5,7-8,10H2 |
| InChIKey | DACSIUOQKZRONM-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=CC(=O)CC11CCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880852 |