| SpectraBase Compound ID | Kivuto63Cbo |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-12(14)10-11(2)13/h3-10H2,1-2H3 |
| InChIKey | PGCYJKDJSLVDGX-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 | ICwmBX8gK9a |
|---|---|
| Name | Dodecane-2,4-dione |
| 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/c1-3-4-5-6-7-8-9-12(14)10-11(2)13/h3-10H2,1-2H3 |
| InChIKey | PGCYJKDJSLVDGX-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(C(=O)C)C(=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910987 |