| SpectraBase Compound ID | D6jDMdnXxcX |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-12-9-10-13(14)15-11-12/h12H,2-11H2,1H3 |
| InChIKey | OWYVRBXBISLRGR-UHFFFAOYSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G5ZehTPC9qY |
|---|---|
| Name | 5-Octyl-2-oxanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-12-9-10-13(14)15-11-12/h12H,2-11H2,1H3 |
| InChIKey | OWYVRBXBISLRGR-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C1(OCC(CC1)CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941644 |