| SpectraBase Compound ID | 8cd3GaxX6U8 |
|---|---|
| InChI | InChI=1S/C9H8I2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3 |
| InChIKey | AVFDHVCJEMRWFS-UHFFFAOYSA-N |
| Mol Weight | 417.97 g/mol |
| Molecular Formula | C9H8I2O3 |
| Exact Mass | 417.856284 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 42ohxQ7PEzL |
|---|---|
| Name | Ethyl-3,5-diiodo-4-hydroxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.856284115 u |
| Formula | C9H8I2O3 |
| InChI | InChI=1S/C9H8I2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3 |
| InChIKey | AVFDHVCJEMRWFS-UHFFFAOYSA-N |
| Molecular Weight | 417.969 g/mol |
| SMILES | C(=O)(OCC)C1=CC(I)=C(C(=C1)I)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893785 |