| SpectraBase Compound ID | 3pXgF6DERXJ |
|---|---|
| InChI | InChI=1S/C7H4BrCl3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChIKey | MXQKEDOEJUUEIZ-UHFFFAOYSA-N |
| Mol Weight | 306.43 g/mol |
| Molecular Formula | C7H4BrCl3S |
| Exact Mass | 303.828267 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GznHZc7ptZ2 |
|---|---|
| Name | 1-Bromanyl-4-(trichloromethylsulfanyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.828267403 u |
| Formula | C7H4BrCl3S |
| InChI | InChI=1S/C7H4BrCl3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChIKey | MXQKEDOEJUUEIZ-UHFFFAOYSA-N |
| Molecular Weight | 306.432 g/mol |
| SMILES | C(SC1=CC=C(C=C1)Br)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830094 |