| SpectraBase Compound ID | KSnJlSzLmMo |
|---|---|
| InChI | InChI=1S/C6H9IO/c1-3-5(7)6(8)4-2/h3H,4H2,1-2H3/b5-3- |
| InChIKey | HBCMYTHJQSSJPJ-HYXAFXHYSA-N |
| Mol Weight | 224.04 g/mol |
| Molecular Formula | C6H9IO |
| Exact Mass | 223.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8B6OkJQKmrE |
|---|---|
| Name | 4-Iodo-4-hexen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.969809909 u |
| Formula | C6H9IO |
| InChI | InChI=1S/C6H9IO/c1-3-5(7)6(8)4-2/h3H,4H2,1-2H3/b5-3- |
| InChIKey | HBCMYTHJQSSJPJ-HYXAFXHYSA-N |
| Molecular Weight | 224.041 g/mol |
| SMILES | CCC(\C(=C\C)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960723 |