| SpectraBase Compound ID | 5jN5IIJAg8A |
|---|---|
| InChI | InChI=1S/C6H11IO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3/b6-3+ |
| InChIKey | ZEKUUCLOMLIACX-ZZXKWVIFSA-N |
| Mol Weight | 226.06 g/mol |
| Molecular Formula | C6H11IO |
| Exact Mass | 225.98546 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 20u5sC4EaRp |
|---|---|
| Name | (E)-5-Iodo-2-methylpent-2-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.985459973 u |
| Formula | C6H11IO |
| InChI | InChI=1S/C6H11IO/c1-6(5-8)3-2-4-7/h3,8H,2,4-5H2,1H3/b6-3+ |
| InChIKey | ZEKUUCLOMLIACX-ZZXKWVIFSA-N |
| Molecular Weight | 226.057 g/mol |
| SMILES | C(\C=C\(CO)C)CI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927875 |