| SpectraBase Compound ID | 6sP0WJ3vSQz |
|---|---|
| InChI | InChI=1S/C9H11NO2S/c1-3-8(2)13(11,12)9-6-4-5-7-10-9/h3-7H,1-2H3/b8-3+ |
| InChIKey | PMRUFQQBUJSHQN-FPYGCLRLSA-N |
| Mol Weight | 197.25 g/mol |
| Molecular Formula | C9H11NO2S |
| Exact Mass | 197.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FbbXufndLCm |
|---|---|
| Name | (E)-2-(but-2-en-2-Ylsulfonyl)pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.051049770 u |
| Formula | C9H11NO2S |
| InChI | InChI=1S/C9H11NO2S/c1-3-8(2)13(11,12)9-6-4-5-7-10-9/h3-7H,1-2H3/b8-3+ |
| InChIKey | PMRUFQQBUJSHQN-FPYGCLRLSA-N |
| Molecular Weight | 197.252 g/mol |
| SMILES | C=1(C=CC=CN1)S(=O)(=O)\C(C)=C/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948277 |