| SpectraBase Compound ID | 3t2airvkgx6 |
|---|---|
| InChI | InChI=1S/C12H18O/c1-2-3-7-11-8-5-4-6-9-12(13)10-11/h2,10H,1,3-9H2/b11-10- |
| InChIKey | RIQYWAGXBKNIFG-KHPPLWFESA-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 | HEkgb79EAHX |
|---|---|
| Name | 3-(3-Butenyl)-2-cycloocten-1-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/c1-2-3-7-11-8-5-4-6-9-12(13)10-11/h2,10H,1,3-9H2/b11-10- |
| InChIKey | RIQYWAGXBKNIFG-KHPPLWFESA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(\C=C/(CCCCC1)CCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954298 |