| SpectraBase Spectrum ID |
18334Roas9a |
| Name |
5-Cyano-3-methyl-1,6-diphenyl-2-thiouracil |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.077933224 u |
| Formula |
C18H13N3OS |
| InChI |
InChI=1S/C18H13N3OS/c1-20-17(22)15(12-19)16(13-8-4-2-5-9-13)21(18(20)23)14-10-6-3-7-11-14/h2-11H,1H3 |
| InChIKey |
CDWXKOBVZKYJBH-UHFFFAOYSA-N |
| Molecular Weight |
319.382 g/mol |
| SMILES |
C1(N(C(=O)C(=C(N1C=1C=CC=CC1)C1=CC=CC=C1)C#N)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944084 |
