| SpectraBase Compound ID | K3eZHXlUJoX |
|---|---|
| InChI | InChI=1S/C5H9IO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3/t4-,5-/m0/s1 |
| InChIKey | UTIKHLUOZKNKJU-WHFBIAKZSA-N |
| Mol Weight | 212.03 g/mol |
| Molecular Formula | C5H9IO |
| Exact Mass | 211.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AL6P0389JbF |
|---|---|
| Name | ((1S*,2S*)-2-Iodo-1-methylcyclopropyl)methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.969809909 u |
| Formula | C5H9IO |
| InChI | InChI=1S/C5H9IO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3/t4-,5-/m0/s1 |
| InChIKey | UTIKHLUOZKNKJU-WHFBIAKZSA-N |
| Molecular Weight | 212.030 g/mol |
| SMILES | [C@]1(I)([C@](CO)(C1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944284 |