| SpectraBase Compound ID | HPDXGFtSgXN |
|---|---|
| InChI | InChI=1S/C9H16O/c1-3-5-7-9(8-10)6-4-2/h7-8H,3-6H2,1-2H3/b9-7+ |
| InChIKey | ZBSBICZQOOJTLG-VQHVLOKHSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LZwcI2TU0MV |
|---|---|
| Name | (2E)-2-Propyl-2-hexenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-3-5-7-9(8-10)6-4-2/h7-8H,3-6H2,1-2H3/b9-7+ |
| InChIKey | ZBSBICZQOOJTLG-VQHVLOKHSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(\C=C\(C=O)CCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894008 |