| SpectraBase Spectrum ID |
AuMccUvmauY |
| Name |
1-Benzyl-5-cyano-3-methyl-6-phenyl-2-thiouracil |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.093583288 u |
| Formula |
C19H15N3OS |
| InChI |
InChI=1S/C19H15N3OS/c1-21-18(23)16(12-20)17(15-10-6-3-7-11-15)22(19(21)24)13-14-8-4-2-5-9-14/h2-11H,13H2,1H3 |
| InChIKey |
GCBZSMSVFUJDOS-UHFFFAOYSA-N |
| Molecular Weight |
333.409 g/mol |
| SMILES |
C=1(C(N(C)C(N(C1C=1C=CC=CC1)CC1=CC=CC=C1)=S)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84709 |
