| SpectraBase Compound ID | 9Mesi3SWH2g |
|---|---|
| InChI | InChI=1S/C8H6BrF3OS/c1-14-7-3-2-5(4-6(7)9)13-8(10,11)12/h2-4H,1H3 |
| InChIKey | QCIMZFYEUFLMBB-UHFFFAOYSA-N |
| Mol Weight | 287.09 g/mol |
| Molecular Formula | C8H6BrF3OS |
| Exact Mass | 285.927483 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F4orjrLWY40 |
|---|---|
| Name | 2-Bromo-4-trifluoromethoxythioanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.927483475 u |
| Formula | C8H6BrF3OS |
| InChI | InChI=1S/C8H6BrF3OS/c1-14-7-3-2-5(4-6(7)9)13-8(10,11)12/h2-4H,1H3 |
| InChIKey | QCIMZFYEUFLMBB-UHFFFAOYSA-N |
| Molecular Weight | 287.094 g/mol |
| SMILES | C(OC1=CC(Br)=C(C=C1)SC)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802516 |