| SpectraBase Spectrum ID |
5d7YEc4tmdt |
| Name |
5-Benzoyl-3-ethyl-2-thiouracil |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.061948806 u |
| Formula |
C13H12N2O2S |
| InChI |
InChI=1S/C13H12N2O2S/c1-2-15-12(17)10(8-14-13(15)18)11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,18) |
| InChIKey |
WOQCKZHXVRHTEB-UHFFFAOYSA-N |
| Molecular Weight |
260.311 g/mol |
| SMILES |
N1C(N(C(C(=C1)C(C1=CC=CC=C1)=O)=O)CC)=S |
| Spectrum/Structure Validation Score (Raman) |
0.972759 |
