| SpectraBase Compound ID | GAwbKWFhv5p |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-7(10)5-6-8(11)9(2,3)4/h5-6H,1-4H3/b6-5+ |
| InChIKey | CHXPJKHSORVGLF-AATRIKPKSA-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 | Bd3HlL0NpG9 |
|---|---|
| Name | (E)-6,6-Dimethyl-3-hepten-2,5-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/c1-7(10)5-6-8(11)9(2,3)4/h5-6H,1-4H3/b6-5+ |
| InChIKey | CHXPJKHSORVGLF-AATRIKPKSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(\C=C\C(=O)C)(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968526 |