| SpectraBase Compound ID | 8wjXWpF6uaG |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7(2)4-5-9(11)6-8(3)10/h6-7,11H,4-5H2,1-3H3/b9-6- |
| InChIKey | LHLLXIVZCHSVHT-TWGQIWQCSA-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 | FrwAzsVls5G |
|---|---|
| Name | 7-Methyloctane-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(2)4-5-9(11)6-8(3)10/h6-7,11H,4-5H2,1-3H3/b9-6- |
| InChIKey | LHLLXIVZCHSVHT-TWGQIWQCSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CC(CC\C(=C\C(C)=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929572 |