| SpectraBase Compound ID | 3GeQObPdoNE |
|---|---|
| InChI | InChI=1S/C5H7IO/c1-4(6)3-5(2)7/h1,3H2,2H3 |
| InChIKey | GLYGOEOCKKUYDM-UHFFFAOYSA-N |
| Mol Weight | 210.01 g/mol |
| Molecular Formula | C5H7IO |
| Exact Mass | 209.95416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I5U63jrugTr |
|---|---|
| Name | 4-Iodo-4-penten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.954159844 u |
| Formula | C5H7IO |
| InChI | InChI=1S/C5H7IO/c1-4(6)3-5(2)7/h1,3H2,2H3 |
| InChIKey | GLYGOEOCKKUYDM-UHFFFAOYSA-N |
| Molecular Weight | 210.014 g/mol |
| SMILES | C(CC(=O)C)(=C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815759 |