| SpectraBase Compound ID | GjjYPv3QbMZ |
|---|---|
| InChI | InChI=1S/C8H4ClF3OS/c9-5-2-1-3-6(4-5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | JHTWUZUGIMJWKU-UHFFFAOYSA-N |
| Mol Weight | 240.63 g/mol |
| Molecular Formula | C8H4ClF3OS |
| Exact Mass | 239.962348 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IZgX0j0U0h1 |
|---|---|
| Name | 3-Chlorothiophenol, S-trifluoroacetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.962348111 u |
| Formula | C8H4ClF3OS |
| InChI | InChI=1S/C8H4ClF3OS/c9-5-2-1-3-6(4-5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | JHTWUZUGIMJWKU-UHFFFAOYSA-N |
| Molecular Weight | 240.627 g/mol |
| SMILES | C1(SC(C(F)(F)F)=O)=CC(=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855654 |