| SpectraBase Spectrum ID |
DbXq8VYWMMJ |
| Name |
5-[2-[2-(4-Tert-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.145678431 u |
| Formula |
C23H24N2O4S |
| InChI |
InChI=1S/C23H24N2O4S/c1-23(2,3)16-8-10-17(11-9-16)28-12-13-29-19-7-5-4-6-15(19)14-18-20(26)24-22(30)25-21(18)27/h4-11,14H,12-13H2,1-3H3,(H2,24,25,26,27,30) |
| InChIKey |
MZSKSSWQJTXBOB-UHFFFAOYSA-N |
| Molecular Weight |
424.515 g/mol |
| SMILES |
C1(C(NC(NC1=O)=S)=O)=CC=1C(OCCOC=2C=CC(C(C)(C)C)=CC2)=CC=CC1 |
![5-[2-[2-(4-Tert-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone](/api/spectrum/DbXq8VYWMMJ/structure.png?h=300&w=458 "5-[2-[2-(4-Tert-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone")
