| SpectraBase Compound ID | GwOFb4nQZvO |
|---|---|
| InChI | InChI=1S/C9H6I2O4/c1-4(12)15-8-6(10)2-5(9(13)14)3-7(8)11/h2-3H,1H3,(H,13,14) |
| InChIKey | JVPBGCMTWXCGAZ-UHFFFAOYSA-N |
| Mol Weight | 431.95 g/mol |
| Molecular Formula | C9H6I2O4 |
| Exact Mass | 431.835549 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CEIWFuVXSyU |
|---|---|
| Name | 4-Acetoxy-3,5-diiodo-benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.835548669 u |
| Formula | C9H6I2O4 |
| InChI | InChI=1S/C9H6I2O4/c1-4(12)15-8-6(10)2-5(9(13)14)3-7(8)11/h2-3H,1H3,(H,13,14) |
| InChIKey | JVPBGCMTWXCGAZ-UHFFFAOYSA-N |
| Molecular Weight | 431.952 g/mol |
| SMILES | C=1(C(=CC(=CC1I)C(=O)O)I)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806886 |