| SpectraBase Compound ID | CPjxaju1Xxe |
|---|---|
| InChI | InChI=1S/C5H8I2O2/c6-2-4(3-7)1-5(8)9/h4H,1-3H2,(H,8,9) |
| InChIKey | IZQZYZSNVKBHGR-UHFFFAOYSA-N |
| Mol Weight | 353.93 g/mol |
| Molecular Formula | C5H8I2O2 |
| Exact Mass | 353.861369 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8OlZQ3lF0uQ |
|---|---|
| Name | 4-Iodanyl-3-(iodanylmethyl)butanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.861369496 u |
| Formula | C5H8I2O2 |
| InChI | InChI=1S/C5H8I2O2/c6-2-4(3-7)1-5(8)9/h4H,1-3H2,(H,8,9) |
| InChIKey | IZQZYZSNVKBHGR-UHFFFAOYSA-N |
| Molecular Weight | 353.926 g/mol |
| SMILES | C(=O)(CC(CI)CI)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971852 |