| SpectraBase Compound ID | 9tpJpma2l89 |
|---|---|
| InChI | InChI=1S/C6H9IO2/c1-6(8)9-5-3-2-4-7/h2-3H,4-5H2,1H3/b3-2+ |
| InChIKey | RDZJUPMJPANSTG-NSCUHMNNSA-N |
| Mol Weight | 240.04 g/mol |
| Molecular Formula | C6H9IO2 |
| Exact Mass | 239.964725 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1OZH058wXU2 |
|---|---|
| Name | 1-Acetoxy-4-iodobut-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.964724528 u |
| Formula | C6H9IO2 |
| InChI | InChI=1S/C6H9IO2/c1-6(8)9-5-3-2-4-7/h2-3H,4-5H2,1H3/b3-2+ |
| InChIKey | RDZJUPMJPANSTG-NSCUHMNNSA-N |
| Molecular Weight | 240.040 g/mol |
| SMILES | C(\C=C\CI)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969206 |