| SpectraBase Compound ID | 7axEs3ALcT7 |
|---|---|
| InChI | InChI=1S/C8H7IO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3 |
| InChIKey | SNIVHZRVLQLTLY-UHFFFAOYSA-N |
| Mol Weight | 262.05 g/mol |
| Molecular Formula | C8H7IO2 |
| Exact Mass | 261.949074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8DmyRIAv2ro |
|---|---|
| Name | (2-Iodanylphenyl) ethanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.949074463 u |
| Formula | C8H7IO2 |
| InChI | InChI=1S/C8H7IO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3 |
| InChIKey | SNIVHZRVLQLTLY-UHFFFAOYSA-N |
| Molecular Weight | 262.046 g/mol |
| SMILES | C=1(C(=CC=CC1)OC(=O)C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948684 |