| SpectraBase Compound ID | KuYNN8pPMUd |
|---|---|
| InChI | InChI=1S/C9H7IO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13) |
| InChIKey | WZHXVERXLFPQCU-UHFFFAOYSA-N |
| Mol Weight | 306.06 g/mol |
| Molecular Formula | C9H7IO4 |
| Exact Mass | 305.938904 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LerjSnxOLCP |
|---|---|
| Name | Benzoic acid, 2-(acetyloxy)-5-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.938903701 u |
| Formula | C9H7IO4 |
| InChI | InChI=1S/C9H7IO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13) |
| InChIKey | WZHXVERXLFPQCU-UHFFFAOYSA-N |
| Molecular Weight | 306.055 g/mol |
| SMILES | C(OC1=C(C(O)=O)C=C(C=C1)I)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963271 |