| SpectraBase Compound ID | Gu8V51Xxoya |
|---|---|
| InChI | InChI=1S/C6H9IO2/c1-3-6(4-7)9-5(2)8/h3,6H,1,4H2,2H3 |
| InChIKey | CRNIYMYSIWUJDZ-UHFFFAOYSA-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 | LcZY9N37rNW |
|---|---|
| Name | 3-Acetoxy-4-iodobut-1-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/c1-3-6(4-7)9-5(2)8/h3,6H,1,4H2,2H3 |
| InChIKey | CRNIYMYSIWUJDZ-UHFFFAOYSA-N |
| Molecular Weight | 240.040 g/mol |
| SMILES | C=CC(CI)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886815 |