| SpectraBase Compound ID | GxmpsvhUsep |
|---|---|
| InChI | InChI=1S/C8H6Br2Cl2/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2 |
| InChIKey | UUZPLRRGKQEIMA-UHFFFAOYSA-N |
| Mol Weight | 332.85 g/mol |
| Molecular Formula | C8H6Br2Cl2 |
| Exact Mass | 329.821332 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C1jI6SvfACF |
|---|---|
| Name | Benzene, 1,4-bis(bromomethyl)-2,5-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.821331593 u |
| Formula | C8H6Br2Cl2 |
| InChI | InChI=1S/C8H6Br2Cl2/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2 |
| InChIKey | UUZPLRRGKQEIMA-UHFFFAOYSA-N |
| Molecular Weight | 332.850 g/mol |
| SMILES | C1(Cl)=CC(CBr)=C(C=C1CBr)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853329 |