| SpectraBase Compound ID | 1KhxUxuRQQR |
|---|---|
| InChI | InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3 |
| InChIKey | OQWNKUAZQSLNSR-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 | JBImUZKAuDK |
|---|---|
| Name | 12-Methyltridecanal |
| 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/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3 |
| InChIKey | OQWNKUAZQSLNSR-UHFFFAOYSA-N |
| Molecular Weight | 212.377 g/mol |
| SMILES | C(CCCCCCCCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877745 |