SpectraBase Compound ID | GQXLnglzy7I |
---|---|
InChI | InChI=1S/C7H6BrIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3 |
InChIKey | PIPWNWZBTWYPJB-UHFFFAOYSA-N |
Mol Weight | 312.93 g/mol |
Molecular Formula | C7H6BrIO |
Exact Mass | 311.864673 g/mol |
SpectraBase Spectrum ID | H5q6t8iuqqr |
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Name | 1-Bromo-4-iodo-2-methoxybenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 311.864672812 u |
Formula | C7H6BrIO |
InChI | InChI=1S/C7H6BrIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3 |
InChIKey | PIPWNWZBTWYPJB-UHFFFAOYSA-N |
Molecular Weight | 312.932 g/mol |
SMILES | C1(I)=CC(=C(C=C1)Br)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842014 |