| SpectraBase Compound ID | 4XWxoay9DBT |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7(10)5-8(11)6-9(2,3)4/h5,11H,6H2,1-4H3/b8-5- |
| InChIKey | KCICRJIINOWADV-YVMONPNESA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DCmZI4Ai3Sy |
|---|---|
| Name | 6,6-Dimethylheptan-2,4-dione, enol-form |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-7(10)5-8(11)6-9(2,3)4/h5,11H,6H2,1-4H3/b8-5- |
| InChIKey | KCICRJIINOWADV-YVMONPNESA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | O\C(=C/C(C)=O)CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887194 |