| SpectraBase Compound ID | FGwkahX0xLJ |
|---|---|
| InChI | InChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | FSIBMLJFLPWMTD-UHFFFAOYSA-N |
| Mol Weight | 324.94 g/mol |
| Molecular Formula | C8H6BrIO |
| Exact Mass | 323.864673 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bt88gMbLAAC |
|---|---|
| Name | Acetophenone, 2-bromo-4'-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.864672812 u |
| Formula | C8H6BrIO |
| InChI | InChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | FSIBMLJFLPWMTD-UHFFFAOYSA-N |
| Molecular Weight | 324.943 g/mol |
| SMILES | C1=C(C=CC(=C1)I)C(CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91538 |