| SpectraBase Compound ID | 2RoSRwtrsGU |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-9(2)11(13)7-5-6-8-12(14)10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | HXQGDVMNCVJPFP-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 646jaocigJC |
|---|---|
| Name | 3,8-Decanedione, 2,9-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-9(2)11(13)7-5-6-8-12(14)10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | HXQGDVMNCVJPFP-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(C(C(C)C)=O)CCCC(C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931319 |