| SpectraBase Compound ID | 9YbpI3ot2mg |
|---|---|
| InChI | InChI=1S/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3 |
| InChIKey | PRNNIHPVNFPWAH-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C8H9FO2S |
| Exact Mass | 188.030729 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3cfRe3bIrYp |
|---|---|
| Name | 1-(Ethylsulfonyl)-4-fluorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.030728865 u |
| Formula | C8H9FO2S |
| InChI | InChI=1S/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3 |
| InChIKey | PRNNIHPVNFPWAH-UHFFFAOYSA-N |
| Molecular Weight | 188.216 g/mol |
| SMILES | C1(F)=CC=C(C=C1)S(=O)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897138 |