| SpectraBase Spectrum ID |
GYvCq737ifm |
| Name |
5-[3-Ethoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.151157733 u |
| Formula |
C24H26N2O6S |
| InChI |
InChI=1S/C24H26N2O6S/c1-3-30-21-15-17(14-19-22(27)25-24(33)26-23(19)28)6-9-20(21)32-13-11-29-10-12-31-18-7-4-16(2)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3,(H2,25,26,27,28,33) |
| InChIKey |
QPOQISPFOQVJEU-UHFFFAOYSA-N |
| Molecular Weight |
470.540 g/mol |
| SMILES |
C1(C(NC(NC1=O)=S)=O)=CC=1C=C(OCC)C(=CC1)OCCOCCOC1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946671 |
![5-[3-Ethoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone](/api/spectrum/GYvCq737ifm/structure.png?h=300&w=458 "5-[3-Ethoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone")
