| SpectraBase Spectrum ID |
4vMAYhzvXA8 |
| Name |
1-(Thioacetyl)-3-(p-toluoyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.061948806 u |
| Formula |
C11H12N2O2S |
| InChI |
InChI=1S/C11H12N2O2S/c1-7-3-5-9(6-4-7)10(14)13-11(15)12-8(2)16/h3-6H,1-2H3,(H2,12,13,14,15,16) |
| InChIKey |
OTYGBQNBKIHLEK-UHFFFAOYSA-N |
| Molecular Weight |
236.289 g/mol |
| SMILES |
N(C(C1=CC=C(C=C1)C)=O)C(NC(C)=S)=O |
| Spectrum/Structure Validation Score (Raman) |
0.718092 |
