| SpectraBase Compound ID | JhUvMVaBCM1 |
|---|---|
| InChI | InChI=1S/C12H9BrS/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H |
| InChIKey | JHPVDDGUGQROJG-UHFFFAOYSA-N |
| Mol Weight | 265.17 g/mol |
| Molecular Formula | C12H9BrS |
| Exact Mass | 263.960834 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 | 6RbbZDasYRt |
|---|---|
| Name | 4'-Bromo-4-mercaptobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.960834464 u |
| Formula | C12H9BrS |
| InChI | InChI=1S/C12H9BrS/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H |
| InChIKey | JHPVDDGUGQROJG-UHFFFAOYSA-N |
| Molecular Weight | 265.168 g/mol |
| SMILES | C1(S)=CC=C(C=C1)C1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888405 |