| SpectraBase Compound ID | COpHFeHQp3i |
|---|---|
| InChI | InChI=1S/C17H16N2O2S/c1-12-7-9-14(10-8-12)16(22)19-17(21)18-15(20)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,20,21,22) |
| InChIKey | UPGNTLVSQHPHSI-UHFFFAOYSA-N |
| Mol Weight | 312.39 g/mol |
| Molecular Formula | C17H16N2O2S |
| Exact Mass | 312.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Clvyflbk5L2 |
|---|---|
| Name | 1-(Phenylacetyl)-3-(thio-p-toluoyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.093248935 u |
| Formula | C17H16N2O2S |
| InChI | InChI=1S/C17H16N2O2S/c1-12-7-9-14(10-8-12)16(22)19-17(21)18-15(20)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,20,21,22) |
| InChIKey | UPGNTLVSQHPHSI-UHFFFAOYSA-N |
| Molecular Weight | 312.387 g/mol |
| SMILES | N(C(C1=CC=C(C=C1)C)=S)C(NC(CC=1C=CC=CC1)=O)=O |