| SpectraBase Compound ID | 57ZTUvFYSyY |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-7(10)6-8(11)9(2,3)4/h6,10H,5H2,1-4H3/b7-6- |
| InChIKey | HDWASLHRWAWIQE-SREVYHEPSA-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 | 1wWeMotp8SM |
|---|---|
| Name | 2,2-Dimethylheptan-3,5-dion, 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/c1-5-7(10)6-8(11)9(2,3)4/h6,10H,5H2,1-4H3/b7-6- |
| InChIKey | HDWASLHRWAWIQE-SREVYHEPSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | O\C(=C/C(C(C)(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938903 |