| SpectraBase Compound ID | Bb40nv8Yt3u |
|---|---|
| InChI | InChI=1S/C5H7IO/c1-5(2,7)3-4-6/h7H,1-2H3 |
| InChIKey | OVVARGOJXLEZDW-UHFFFAOYSA-N |
| Mol Weight | 210.01 g/mol |
| Molecular Formula | C5H7IO |
| Exact Mass | 209.95416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6oLYILrFIIf |
|---|---|
| Name | 4-Iodanyl-2-methyl-but-3-yn-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.954159844 u |
| Formula | C5H7IO |
| InChI | InChI=1S/C5H7IO/c1-5(2,7)3-4-6/h7H,1-2H3 |
| InChIKey | OVVARGOJXLEZDW-UHFFFAOYSA-N |
| Molecular Weight | 210.014 g/mol |
| SMILES | C(#CC(C)(C)O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958752 |