| SpectraBase Compound ID | 3ci9TSd1FXz |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-6-7(10)4-5-9(2,3)8(6)11/h6H,4-5H2,1-3H3 |
| InChIKey | HNRVKBUIEQBLML-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KHRi6mQW26o |
|---|---|
| Name | 2,4,4-Trimethyl-cyclohexa-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-6-7(10)4-5-9(2,3)8(6)11/h6H,4-5H2,1-3H3 |
| InChIKey | HNRVKBUIEQBLML-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1(=O)C(C)C(CCC1(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811966 |