| SpectraBase Compound ID | KS957PFWJ8k |
|---|---|
| InChI | InChI=1S/C13H25IO/c1-3-5-7-8-10-13(14)12(11-15)9-6-4-2/h15H,3-11H2,1-2H3/b13-12- |
| InChIKey | ACQBIQUKAQXDFS-SEYXRHQNSA-N |
| Mol Weight | 324.25 g/mol |
| Molecular Formula | C13H25IO |
| Exact Mass | 324.09501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CnXh3TLgBka |
|---|---|
| Name | (Z)-3-Iodo-2-butylnon-2-enol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.095010424 u |
| Formula | C13H25IO |
| InChI | InChI=1S/C13H25IO/c1-3-5-7-8-10-13(14)12(11-15)9-6-4-2/h15H,3-11H2,1-2H3/b13-12- |
| InChIKey | ACQBIQUKAQXDFS-SEYXRHQNSA-N |
| Molecular Weight | 324.246 g/mol |
| SMILES | C(\C(=C\(CCCCCC)I)CCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950543 |