| SpectraBase Compound ID | AJuxZLLIcWN |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-10-8-9-11(13)6-4-2-3-5-7-12(14)15-10/h10H,2-9H2,1H3 |
| InChIKey | HOVKTPSZQSUXMS-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 74JVrhMXmVL |
|---|---|
| Name | 12-Methyl-1-oxacyclododecane-2,9-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-10-8-9-11(13)6-4-2-3-5-7-12(14)15-10/h10H,2-9H2,1H3 |
| InChIKey | HOVKTPSZQSUXMS-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C1(OC(CCC(CCCCCC1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947301 |