| SpectraBase Compound ID | Hhkxrv7oNR1 |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-4-5-6-7-8-13(10-14)9-11(2)12(3)15/h10-11,13H,4-9H2,1-3H3 |
| InChIKey | SKTMMEBHTKNZNS-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 | BVsQPiwz84Y |
|---|---|
| Name | 2-(2-Methyl-3-oxobutyl)octanal |
| 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/c1-4-5-6-7-8-13(10-14)9-11(2)12(3)15/h10-11,13H,4-9H2,1-3H3 |
| InChIKey | SKTMMEBHTKNZNS-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(C(CCCCCC)CC(C(C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885797 |