| SpectraBase Compound ID | WiJn3bKQmz |
|---|---|
| InChI | InChI=1S/C16H14N2O2S/c1-11-7-9-13(10-8-11)15(21)18-16(20)17-14(19)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21) |
| InChIKey | YXMNHLPKNTXHGS-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H14N2O2S |
| Exact Mass | 298.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EDBZq4dIBig |
|---|---|
| Name | 1-Benzoyl-3-(thio-p-toluoyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.077598871 u |
| Formula | C16H14N2O2S |
| InChI | InChI=1S/C16H14N2O2S/c1-11-7-9-13(10-8-11)15(21)18-16(20)17-14(19)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21) |
| InChIKey | YXMNHLPKNTXHGS-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=C(C=C1)C)=S)C(NC(C=1C=CC=CC1)=O)=O |