| SpectraBase Compound ID | BrNaKHyAxgT |
|---|---|
| InChI | InChI=1S/C7H11IO3/c1-3-11-7(9)4-6(5-8)10-2/h4H,3,5H2,1-2H3/b6-4- |
| InChIKey | GHMKNWIXBKZEJP-XQRVVYSFSA-N |
| Mol Weight | 270.07 g/mol |
| Molecular Formula | C7H11IO3 |
| Exact Mass | 269.975289 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2M2Kvwz7emR |
|---|---|
| Name | 4-Iodo-3-methoxybut-2-enoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.975289211 u |
| Formula | C7H11IO3 |
| InChI | InChI=1S/C7H11IO3/c1-3-11-7(9)4-6(5-8)10-2/h4H,3,5H2,1-2H3/b6-4- |
| InChIKey | GHMKNWIXBKZEJP-XQRVVYSFSA-N |
| Molecular Weight | 270.066 g/mol |
| SMILES | CO\C(=C/C(=O)OCC)CI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945758 |