| SpectraBase Compound ID | Lq5KeTn01uM |
|---|---|
| InChI | InChI=1S/C9H7F3OS/c1-6(13)14-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3 |
| InChIKey | SWACHMGOAWZGTK-UHFFFAOYSA-N |
| Mol Weight | 220.21 g/mol |
| Molecular Formula | C9H7F3OS |
| Exact Mass | 220.016971 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1sAAULZDjrz |
|---|---|
| Name | 4-(Trifluoromethyl)thiophenol, S-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.016970507 u |
| Formula | C9H7F3OS |
| InChI | InChI=1S/C9H7F3OS/c1-6(13)14-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3 |
| InChIKey | SWACHMGOAWZGTK-UHFFFAOYSA-N |
| Molecular Weight | 220.209 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)SC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924147 |