| SpectraBase Compound ID | LL1AS7mrk2 |
|---|---|
| InChI | InChI=1S/C16H19N3O3S/c1-11(2)18-16(20)19-13-5-9-15(10-6-13)23(21,22)14-7-3-12(17)4-8-14/h3-11H,17H2,1-2H3,(H2,18,19,20) |
| InChIKey | KAHBCQBAPGVWLT-UHFFFAOYSA-N |
| Mol Weight | 333.41 g/mol |
| Molecular Formula | C16H19N3O3S |
| Exact Mass | 333.114713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kXNKaUwq1j |
|---|---|
| Name | 1-Isopropyl-3-(p-sulfanilylphenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.114712655 u |
| Formula | C16H19N3O3S |
| InChI | InChI=1S/C16H19N3O3S/c1-11(2)18-16(20)19-13-5-9-15(10-6-13)23(21,22)14-7-3-12(17)4-8-14/h3-11H,17H2,1-2H3,(H2,18,19,20) |
| InChIKey | KAHBCQBAPGVWLT-UHFFFAOYSA-N |
| SMILES | NC=1C=CC(S(C=2C=CC(=CC2)NC(=O)NC(C)C)(=O)=O)=CC1 |