| SpectraBase Compound ID | LWGuSIsEVoK |
|---|---|
| InChI | InChI=1S/C13H8ClNO2S2/c14-10-3-5-12(6-4-10)19(16,17)13(9-15)8-11-2-1-7-18-11/h1-8H/b13-8+ |
| InChIKey | ZYOKZRRZBHAMJD-MDWZMJQESA-N |
| Mol Weight | 309.79 g/mol |
| Molecular Formula | C13H8ClNO2S2 |
| Exact Mass | 308.968499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqsYC8UoRtA |
|---|---|
| Name | Propennitrile, 2-(4-chlorophenylsulfonyl)-3-(2-thienyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.968498548 u |
| Formula | C13H8ClNO2S2 |
| InChI | InChI=1S/C13H8ClNO2S2/c14-10-3-5-12(6-4-10)19(16,17)13(9-15)8-11-2-1-7-18-11/h1-8H/b13-8+ |
| InChIKey | ZYOKZRRZBHAMJD-MDWZMJQESA-N |
| Molecular Weight | 309.785 g/mol |
| SMILES | C1=C(C=CC(S(\C(=C\C=2SC=CC2)C#N)(=O)=O)=C1)Cl |