| SpectraBase Compound ID | DMXEB1LLFyU |
|---|---|
| InChI | InChI=1S/C9H7Br2IO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3 |
| InChIKey | PPGYZCARVPICBG-UHFFFAOYSA-N |
| Mol Weight | 433.87 g/mol |
| Molecular Formula | C9H7Br2IO2 |
| Exact Mass | 431.78575 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FDcMkq4DkOg |
|---|---|
| Name | Ethyl 3,5-dibromo-4-iodobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.785750463 u |
| Formula | C9H7Br2IO2 |
| InChI | InChI=1S/C9H7Br2IO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3 |
| InChIKey | PPGYZCARVPICBG-UHFFFAOYSA-N |
| Molecular Weight | 433.865 g/mol |
| SMILES | C=1(C(=CC(=CC1Br)C(=O)OCC)Br)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889356 |