| SpectraBase Compound ID | 2r35taA0Sxw |
|---|---|
| InChI | InChI=1S/C11H18O/c1-3-5-6-7-8-9-11(4-2)10-12/h10H,2-3,5-9H2,1H3 |
| InChIKey | UENRQFPQMIIGPT-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CVLgc6m63cg |
|---|---|
| Name | 2-Heptyl-2,3-butadienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-3-5-6-7-8-9-11(4-2)10-12/h10H,2-3,5-9H2,1H3 |
| InChIKey | UENRQFPQMIIGPT-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C(CCCCCC)C(C=O)=C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958809 |