| SpectraBase Compound ID | Kn566c1GBAO |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-5-9(12)6-7-10(3,4)8(2)11/h5-7H,1H2,2-4H3/b7-6+ |
| InChIKey | JFEZLUZUXACGNF-VOTSOKGWSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 783VljCdMFo |
|---|---|
| Name | 3,3-Dimethylocta-4,7-diene-2,6-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-5-9(12)6-7-10(3,4)8(2)11/h5-7H,1H2,2-4H3/b7-6+ |
| InChIKey | JFEZLUZUXACGNF-VOTSOKGWSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(=O)(C)C(C)(C)\C=C\C(=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968077 |