| SpectraBase Compound ID | GHm0aUdnZiS |
|---|---|
| InChI | InChI=1S/C8H8BrIO/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4H,5H2,1H3 |
| InChIKey | VMCXFGOKJQWOND-UHFFFAOYSA-N |
| Mol Weight | 326.96 g/mol |
| Molecular Formula | C8H8BrIO |
| Exact Mass | 325.880323 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EYU1WVISuqf |
|---|---|
| Name | 2-Iodo-3-methoxy-1-(bromomethyl)-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.880322877 u |
| Formula | C8H8BrIO |
| InChI | InChI=1S/C8H8BrIO/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4H,5H2,1H3 |
| InChIKey | VMCXFGOKJQWOND-UHFFFAOYSA-N |
| Molecular Weight | 326.959 g/mol |
| Nominal Mass | 326 u |
| SMILES | C=1(C(CBr)=CC=CC1OC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835615 |