| SpectraBase Spectrum ID |
AUgxIgdV6KA |
| Name |
Urea, N-benzoyl-N-ethylthiocarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.056863425 u |
| Formula |
C11H12N2O3S |
| InChI |
InChI=1S/C11H12N2O3S/c1-2-17-11(16)13(10(12)15)9(14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,15) |
| InChIKey |
QNTZBPGMQPXMRA-UHFFFAOYSA-N |
| Molecular Weight |
252.288 g/mol |
| SMILES |
NC(N(C(c1ccccc1)=O)C(=O)SCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835878 |
