| SpectraBase Compound ID | KYSyyykyV8W |
|---|---|
| InChI | InChI=1S/C8H6BrIO2/c1-5(11)12-8-3-2-6(10)4-7(8)9/h2-4H,1H3 |
| InChIKey | GRIVUNSPUJUAPI-UHFFFAOYSA-N |
| Mol Weight | 340.94 g/mol |
| Molecular Formula | C8H6BrIO2 |
| Exact Mass | 339.859587 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3r3Yg85pf7J |
|---|---|
| Name | 2-Bromo-4-iodophenol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.859587431 u |
| Formula | C8H6BrIO2 |
| InChI | InChI=1S/C8H6BrIO2/c1-5(11)12-8-3-2-6(10)4-7(8)9/h2-4H,1H3 |
| InChIKey | GRIVUNSPUJUAPI-UHFFFAOYSA-N |
| Molecular Weight | 340.942 g/mol |
| SMILES | C1(Br)=C(OC(C)=O)C=CC(=C1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964291 |