| SpectraBase Spectrum ID |
GjdQcViRn8W |
| Name |
4-Keto-6-propyl-2-thioxo-1H-pyrimidine-5-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.046633095 u |
| Formula |
C8H9N3OS |
| InChI |
InChI=1S/C8H9N3OS/c1-2-3-6-5(4-9)7(12)11-8(13)10-6/h2-3H2,1H3,(H2,10,11,12,13) |
| InChIKey |
BETUEMGGSALGFH-UHFFFAOYSA-N |
| Molecular Weight |
195.240 g/mol |
| SMILES |
C1(NC(C(=C(N1)CCC)C#N)=O)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915145 |
