| SpectraBase Compound ID | CQJXAbIYF5x |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-9-4-3-5-10-6-14(8-13(9,10)2)11(15)7-17-12(14)16/h9-10H,3-8H2,1-2H3 |
| InChIKey | WLBFHOBYRTVGNV-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L7Q4TrL28ws |
|---|---|
| Name | Norketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-9-4-3-5-10-6-14(8-13(9,10)2)11(15)7-17-12(14)16/h9-10H,3-8H2,1-2H3 |
| InChIKey | WLBFHOBYRTVGNV-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1C2(CC3(C1CCCC3C)C)C(OCC2=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927073 |