| SpectraBase Compound ID | LZwZmIOe3Sb |
|---|---|
| InChI | InChI=1S/C9H9IO3/c1-6(11)13-9-5-7(10)3-4-8(9)12-2/h3-5H,1-2H3 |
| InChIKey | OYSUHSDINJVPEG-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 | D8yLhYkmq6L |
|---|---|
| Name | 5-Iodo-2-methoxyphenyl acetate |
| 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(10)3-4-8(9)12-2/h3-5H,1-2H3 |
| InChIKey | OYSUHSDINJVPEG-UHFFFAOYSA-N |
| Molecular Weight | 292.072 g/mol |
| SMILES | C1=CC(=CC(OC(C)=O)=C1OC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940225 |