| SpectraBase Spectrum ID |
EC6b34kQUoo |
| Name |
3-Benzyl-2-thiouracil or 3-benzyl-2,3-dihydro-2-thioxopyrimidin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.051384123 u |
| Formula |
C11H10N2OS |
| InChI |
InChI=1S/C11H10N2OS/c14-10-6-7-12-11(15)13(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,15) |
| InChIKey |
ILBPTKLQXQKKSN-UHFFFAOYSA-N |
| Molecular Weight |
218.274 g/mol |
| SMILES |
C1(N(C(C=CN1)=O)CC1=CC=CC=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886541 |
