| SpectraBase Compound ID | 35cxwhR4xo6 |
|---|---|
| InChI | InChI=1S/C6H9IO3/c7-3-1-4-10-5-2-6(8)9/h2,5H,1,3-4H2,(H,8,9)/b5-2+ |
| InChIKey | GGRZLNQKJSGMDO-GORDUTHDSA-N |
| Mol Weight | 256.04 g/mol |
| Molecular Formula | C6H9IO3 |
| Exact Mass | 255.959639 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3BKn0ly5znu |
|---|---|
| Name | 3-(3-Iodopropoxy)propenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.959639147 u |
| Formula | C6H9IO3 |
| InChI | InChI=1S/C6H9IO3/c7-3-1-4-10-5-2-6(8)9/h2,5H,1,3-4H2,(H,8,9)/b5-2+ |
| InChIKey | GGRZLNQKJSGMDO-GORDUTHDSA-N |
| Molecular Weight | 256.039 g/mol |
| SMILES | C(\C=C\OCCCI)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982632 |