| SpectraBase Compound ID | Je8Izc2WIQT |
|---|---|
| InChI | InChI=1S/C9H5F5OS/c10-8(11,9(12,13)14)7(15)16-6-4-2-1-3-5-6/h1-5H |
| InChIKey | WOVJRAIJOKPRIC-UHFFFAOYSA-N |
| Mol Weight | 256.19 g/mol |
| Molecular Formula | C9H5F5OS |
| Exact Mass | 255.998127 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6j3Dhm3w40e |
|---|---|
| Name | S-Phenyl-pentafluoro-propanethioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.998126769 u |
| Formula | C9H5F5OS |
| InChI | InChI=1S/C9H5F5OS/c10-8(11,9(12,13)14)7(15)16-6-4-2-1-3-5-6/h1-5H |
| InChIKey | WOVJRAIJOKPRIC-UHFFFAOYSA-N |
| Molecular Weight | 256.190 g/mol |
| SMILES | C(F)(F)(C(F)(F)F)C(=O)SC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944133 |