| SpectraBase Compound ID | GZpK2vIiQLF |
|---|---|
| InChI | InChI=1S/C11H11IO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8- |
| InChIKey | NVVFDHZCRHFSEH-NTMALXAHSA-N |
| Mol Weight | 302.11 g/mol |
| Molecular Formula | C11H11IO2 |
| Exact Mass | 301.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8yQxd99zkf5 |
|---|---|
| Name | Ethyl 3-phenyl-2-iodo-2-propenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.980374592 u |
| Formula | C11H11IO2 |
| InChI | InChI=1S/C11H11IO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8- |
| InChIKey | NVVFDHZCRHFSEH-NTMALXAHSA-N |
| Molecular Weight | 302.111 g/mol |
| SMILES | C(\C(=C\C=1C=CC=CC1)I)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972944 |