| SpectraBase Compound ID | GKajXDSnUsb |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h13H,4-6H2,1-3H3 |
| InChIKey | GNSOXUGOIUIPBN-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BDEL9InIG2q |
|---|---|
| Name | 5,5-Dimethyl-2-(2'-oxo-propyl)-cyclohexa-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h13H,4-6H2,1-3H3 |
| InChIKey | GNSOXUGOIUIPBN-UHFFFAOYSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C(=O)(C)CC1=C(O)CC(C)(C)CC1=O |
| Spectrum/Structure Validation Score (Raman) | 0.995971 |