| SpectraBase Compound ID | 5edK85NV7n6 |
|---|---|
| InChI | InChI=1S/C6H11IO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
| InChIKey | BWVAFGCIEDGPRY-UHFFFAOYSA-N |
| Mol Weight | 242.06 g/mol |
| Molecular Formula | C6H11IO2 |
| Exact Mass | 241.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2yY4DiPLh0C |
|---|---|
| Name | 2-Iodanylhexanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.980374592 u |
| Formula | C6H11IO2 |
| InChI | InChI=1S/C6H11IO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
| InChIKey | BWVAFGCIEDGPRY-UHFFFAOYSA-N |
| Molecular Weight | 242.056 g/mol |
| SMILES | C(C(CCCC)I)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976764 |