| SpectraBase Compound ID | 5zjznFOstb |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-10(13)8-6-5-7-9-11(14)12(2,3)4/h7,9H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey | DIQRUXULLWMCAW-VQHVLOKHSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4CxCRSbG1cS |
|---|---|
| Name | 9,9-Dimethyl-dec-6-ene-2,8-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-10(13)8-6-5-7-9-11(14)12(2,3)4/h7,9H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey | DIQRUXULLWMCAW-VQHVLOKHSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C(C(=O)\C=C\CCCC(C)=O)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992132 |