| SpectraBase Compound ID | 6iyD8qTTaR3 |
|---|---|
| InChI | InChI=1S/C8H4BrF3OS/c9-5-1-3-6(4-2-5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | ZNTSUEGUORECKV-UHFFFAOYSA-N |
| Mol Weight | 285.08 g/mol |
| Molecular Formula | C8H4BrF3OS |
| Exact Mass | 283.911833 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1M1dDSMa0vW |
|---|---|
| Name | 4-Bromothiophenol, S-trifluoroacetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.911833411 u |
| Formula | C8H4BrF3OS |
| InChI | InChI=1S/C8H4BrF3OS/c9-5-1-3-6(4-2-5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | ZNTSUEGUORECKV-UHFFFAOYSA-N |
| Molecular Weight | 285.078 g/mol |
| SMILES | C1(SC(C(F)(F)F)=O)=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835872 |