| SpectraBase Compound ID | DpqnmLqWRkJ |
|---|---|
| InChI | InChI=1S/C5H3IO2/c6-4-1-2-8-5(7)3-4/h1-3H |
| InChIKey | VVQSWWQWGJAVTR-UHFFFAOYSA-N |
| Mol Weight | 221.98 g/mol |
| Molecular Formula | C5H3IO2 |
| Exact Mass | 221.917774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IItyzik7Ooy |
|---|---|
| Name | 4-Iodanylpyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.917774335 u |
| Formula | C5H3IO2 |
| InChI | InChI=1S/C5H3IO2/c6-4-1-2-8-5(7)3-4/h1-3H |
| InChIKey | VVQSWWQWGJAVTR-UHFFFAOYSA-N |
| Molecular Weight | 221.981 g/mol |
| SMILES | C1(C=C(C=CO1)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975835 |