| SpectraBase Compound ID | 71ogKMeSBZZ |
|---|---|
| InChI | InChI=1S/C5H9IO/c1-5(7)3-2-4-6/h2-4H2,1H3 |
| InChIKey | RZXWNQYIRHMNTQ-UHFFFAOYSA-N |
| Mol Weight | 212.03 g/mol |
| Molecular Formula | C5H9IO |
| Exact Mass | 211.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L1Gq4VuIYuN |
|---|---|
| Name | 5-Iodopentan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.969809909 u |
| Formula | C5H9IO |
| InChI | InChI=1S/C5H9IO/c1-5(7)3-2-4-6/h2-4H2,1H3 |
| InChIKey | RZXWNQYIRHMNTQ-UHFFFAOYSA-N |
| Molecular Weight | 212.030 g/mol |
| SMILES | CC(CCCI)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975327 |