| SpectraBase Compound ID | 3fmmX96Dplr |
|---|---|
| InChI | InChI=1S/C15H14N2O3S2/c1-11-7-9-12(10-8-11)14(21)16-15(18)17-22(19,20)13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,21) |
| InChIKey | APPDHOCIMLBGIS-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C15H14N2O3S2 |
| Exact Mass | 334.044585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KEtFsTte0q4 |
|---|---|
| Name | 1-(Phenylsulfonyl)-3-(thio-p-toluoyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.044584664 u |
| Formula | C15H14N2O3S2 |
| InChI | InChI=1S/C15H14N2O3S2/c1-11-7-9-12(10-8-11)14(21)16-15(18)17-22(19,20)13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,21) |
| InChIKey | APPDHOCIMLBGIS-UHFFFAOYSA-N |
| Molecular Weight | 334.408 g/mol |
| SMILES | N(C(C1=CC=C(C=C1)C)=S)C(NS(=O)(=O)C=1C=CC=CC1)=O |