| SpectraBase Compound ID | A1IP2KEXhx8 |
|---|---|
| InChI | InChI=1S/C7H2F6S/c8-2-1-3(9)5(11)6(4(2)10)14-7(12)13/h1,7H |
| InChIKey | HJVMMUFUTZDDEC-UHFFFAOYSA-N |
| Mol Weight | 232.14 g/mol |
| Molecular Formula | C7H2F6S |
| Exact Mass | 231.97814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9lg7fAFXjTp |
|---|---|
| Name | 2,3,5,6-Tetrafluorobenzene, (difluoromethylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.978140216 u |
| Formula | C7H2F6S |
| InChI | InChI=1S/C7H2F6S/c8-2-1-3(9)5(11)6(4(2)10)14-7(12)13/h1,7H |
| InChIKey | HJVMMUFUTZDDEC-UHFFFAOYSA-N |
| Molecular Weight | 232.143 g/mol |
| SMILES | C(F)(F)SC=1C(=C(F)C=C(F)C1F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929386 |