| SpectraBase Compound ID | 1YGCl4EPCq8 |
|---|---|
| InChI | InChI=1S/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChIKey | GFYUBPKXVMWINH-UHFFFAOYSA-N |
| Mol Weight | 290.1 g/mol |
| Molecular Formula | C10H11IO2 |
| Exact Mass | 289.980375 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3u3jTiYsB3X |
|---|---|
| Name | Ethyl α-iodophenylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.980374592 u |
| Formula | C10H11IO2 |
| InChI | InChI=1S/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChIKey | GFYUBPKXVMWINH-UHFFFAOYSA-N |
| Molecular Weight | 290.100 g/mol |
| SMILES | C1=CC=CC=C1C(C(OCC)=O)I |
| Spectrum/Structure Validation Score (Raman) | 0.986245 |