| SpectraBase Compound ID | CC2JDOreLCO |
|---|---|
| InChI | InChI=1S/C13H26O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h12-13H,3-11H2,1-2H3 |
| InChIKey | OUFCBJZGDJFSIK-UHFFFAOYSA-N |
| Mol Weight | 198.35 g/mol |
| Molecular Formula | C13H26O |
| Exact Mass | 198.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6j4ce0SFKkf |
|---|---|
| Name | 11-Methyldodecanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.198365456 u |
| Formula | C13H26O |
| InChI | InChI=1S/C13H26O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h12-13H,3-11H2,1-2H3 |
| InChIKey | OUFCBJZGDJFSIK-UHFFFAOYSA-N |
| Molecular Weight | 198.350 g/mol |
| SMILES | C(CCCCCCCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904579 |