| SpectraBase Compound ID | 3DjFeUX8UsU |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-6(2)5-9(11)7(3)8(4)10/h6-7H,5H2,1-4H3 |
| InChIKey | BEWPTSWPIROTRC-UHFFFAOYSA-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 | 8f2WWyal3Ab |
|---|---|
| Name | 3,6-Dimethyl-2,4-heptadione |
| 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/c1-6(2)5-9(11)7(3)8(4)10/h6-7H,5H2,1-4H3 |
| InChIKey | BEWPTSWPIROTRC-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CC(C(C(CC(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908186 |