| SpectraBase Spectrum ID |
8wUN5Npolqe |
| Name |
3,4,4A,5-Tetrahydro-3,7,8-trimethylpyrimido[1,6-A]benzimidazol-1(2H)thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.114318733 u |
| Formula |
C13H17N3S |
| InChI |
InChI=1S/C13H17N3S/c1-7-4-10-11(5-8(7)2)16-12(15-10)6-9(3)14-13(16)17/h4-5,9,12,15H,6H2,1-3H3,(H,14,17) |
| InChIKey |
KGEJOBUUUKPGHN-UHFFFAOYSA-N |
| Molecular Weight |
247.360 g/mol |
| SMILES |
C1(N2C(CC(N1)C)NC1=C2C=C(C(C)=C1)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862137 |
![3,4,4a,5-Tetrahydro-3,7,8-trimethylpyrimido[1,6-a]benzimidazol-1(2H)thione](/api/spectrum/8wUN5Npolqe/structure.png?h=300&w=458 "3,4,4a,5-Tetrahydro-3,7,8-trimethylpyrimido[1,6-a]benzimidazol-1(2H)thione")
