| SpectraBase Compound ID | 2gNFSwU94kw |
|---|---|
| InChI | InChI=1S/C9H9IO3/c1-6(11)13-9-5-7(12-2)3-4-8(9)10/h3-5H,1-2H3 |
| InChIKey | YTONHIUEMFBXTG-UHFFFAOYSA-N |
| Mol Weight | 292.07 g/mol |
| Molecular Formula | C9H9IO3 |
| Exact Mass | 291.959639 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GJOLml9AfZc |
|---|---|
| Name | (2-Iodanyl-5-methoxy-phenyl) ethanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.959639147 u |
| Formula | C9H9IO3 |
| InChI | InChI=1S/C9H9IO3/c1-6(11)13-9-5-7(12-2)3-4-8(9)10/h3-5H,1-2H3 |
| InChIKey | YTONHIUEMFBXTG-UHFFFAOYSA-N |
| Molecular Weight | 292.072 g/mol |
| SMILES | C1(OC(=O)C)=CC(OC)=CC=C1I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844751 |