| SpectraBase Compound ID | AAp6aiGVGBR |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h3-10H2,1-2H3 |
| InChIKey | IALFUWZSWAKBDF-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6pVGAXcZEwQ |
|---|---|
| Name | 2,11-Dodecanedione |
| 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/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h3-10H2,1-2H3 |
| InChIKey | IALFUWZSWAKBDF-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(CCCCCCCCC(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98252 |