| SpectraBase Spectrum ID |
5RLQmysk9rE |
| Name |
2,2-Bis(2,6-dithiophen-2-ylpyrimidn-4-ylmethyl)malonic acid Diethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H28N4O4S4 |
| InChI |
InChI=1S/C33H28N4O4S4/c1-3-40-31(38)33(32(39)41-4-2,19-21-17-23(25-9-5-13-42-25)36-29(34-21)27-11-7-15-44-27)20-22-18-24(26-10-6-14-43-26)37-30(35-22)28-12-8-16-45-28/h5-18H,3-4,19-20H2,1-2H3 |
| InChIKey |
FTHCZZDROSNDOY-UHFFFAOYSA-N |
| Molecular Weight |
672.851 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(Cc1nc(-c2sccc2)nc(c1)-c1sccc1)Cc1nc(-c2sccc2)nc(c1)-c1sccc1 |
| SPLASH |
splash10-014i-0000900000-99963deaf96b48921717 |
| Source of Spectrum |
C5-2003-2825-12 |
| Wiley ID |
1616326 |
