| SpectraBase Compound ID | 3BskaIyEBgu |
|---|---|
| InChI | InChI=1S/C14H28O/c1-4-13(2)11-9-7-5-6-8-10-12-14(3)15/h13H,4-12H2,1-3H3 |
| InChIKey | RGQOHKMKTPQXIW-UHFFFAOYSA-N |
| Mol Weight | 212.38 g/mol |
| Molecular Formula | C14H28O |
| Exact Mass | 212.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GHyUQAr3k9D |
|---|---|
| Name | 11-Methyltridecan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.214015521 u |
| Formula | C14H28O |
| InChI | InChI=1S/C14H28O/c1-4-13(2)11-9-7-5-6-8-10-12-14(3)15/h13H,4-12H2,1-3H3 |
| InChIKey | RGQOHKMKTPQXIW-UHFFFAOYSA-N |
| Molecular Weight | 212.377 g/mol |
| SMILES | CC(CCCCCCCCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92488 |