| SpectraBase Compound ID | JjbW58uihre |
|---|---|
| InChI | InChI=1S/C8H5F3OS/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H |
| InChIKey | VAPOOUIHAISUEO-UHFFFAOYSA-N |
| Mol Weight | 206.18 g/mol |
| Molecular Formula | C8H5F3OS |
| Exact Mass | 206.00132 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1d1NfFP6oL6 |
|---|---|
| Name | Phenyl-trifluorothioacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.001320443 u |
| Formula | C8H5F3OS |
| InChI | InChI=1S/C8H5F3OS/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H |
| InChIKey | VAPOOUIHAISUEO-UHFFFAOYSA-N |
| Molecular Weight | 206.182 g/mol |
| SMILES | C(F)(F)(F)C(=O)SC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900123 |