| SpectraBase Compound ID | 6aJZYQ1Lfil |
|---|---|
| InChI | InChI=1S/C5H9IO2/c1-4-7-2-5(6)3-8-4/h4-5H,2-3H2,1H3/t4-,5- |
| InChIKey | NPFTUAWJJHRRMX-URHBZAFASA-N |
| Mol Weight | 228.03 g/mol |
| Molecular Formula | C5H9IO2 |
| Exact Mass | 227.964725 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EDyBXlu3mZa |
|---|---|
| Name | 1,3-Dioxane, 5-iodo-2-methyl-, trans- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.964724528 u |
| Formula | C5H9IO2 |
| InChI | InChI=1S/C5H9IO2/c1-4-7-2-5(6)3-8-4/h4-5H,2-3H2,1H3/t4-,5- |
| InChIKey | NPFTUAWJJHRRMX-URHBZAFASA-N |
| Molecular Weight | 228.029 g/mol |
| SMILES | [C@]1(CO[C@@](OC1)(C)[H])(I)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979168 |