| SpectraBase Compound ID | FxjgYi1XeMn |
|---|---|
| InChI | InChI=1S/C7H11IO2/c8-6-2-1-5-10-7(9)4-3-6/h6H,1-5H2 |
| InChIKey | WBIUMWGIQWBBBG-UHFFFAOYSA-N |
| Mol Weight | 254.07 g/mol |
| Molecular Formula | C7H11IO2 |
| Exact Mass | 253.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | laW5arwv5Q |
|---|---|
| Name | 5-Iodo-2-oxocanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.980374592 u |
| Formula | C7H11IO2 |
| InChI | InChI=1S/C7H11IO2/c8-6-2-1-5-10-7(9)4-3-6/h6H,1-5H2 |
| InChIKey | WBIUMWGIQWBBBG-UHFFFAOYSA-N |
| Molecular Weight | 254.067 g/mol |
| SMILES | C1(OCCCC(CC1)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952289 |