| SpectraBase Spectrum ID |
FKQp7Dz8Ai5 |
| Name |
6-(4-(2-((4-(3-((4-Chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazin-6-yl)phenoxy)methyl)benzyloxy)phenyl)-3-((4-chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
846.136499286 u |
| Formula |
C42H32Cl2N8O4S2 |
| InChI |
InChI=1S/C42H32Cl2N8O4S2/c43-31-9-17-35(18-10-31)55-23-39-45-47-41-51(39)49-37(25-57-41)27-5-13-33(14-6-27)53-21-29-3-1-2-4-30(29)22-54-34-15-7-28(8-16-34)38-26-58-42-48-46-40(52(42)50-38)24-56-36-19-11-32(44)12-20-36/h1-20H,21-26H2 |
| InChIKey |
DYQPKSTVCUGSFY-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2223 |
| Molecular Weight |
847.796 g/mol |
| Quality |
8 |
| SMILES |
C1(Cl)=CC=C(OCC2=NN=C3SCC(=NN23)C2=CC=C(OCC3=C(COC4=CC=C(C=C4)C4=NN5C(SC4)=NN=C5COC4=CC=C(C=C4)Cl)C=CC=C3)C=C2)C=C1 |
| SPLASH |
splash10-0a4i-9000000000-3f979a5a82ec557199d2 |
| Source of Spectrum |
Y-52-1425-4b (DOI: 10.1002/jhet.2223) |
| Wiley ID |
1902518 |
![6-(4-(2-((4-(3-((4-Chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazin-6-yl)phenoxy)methyl)benzyloxy)phenyl)-3-((4-chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine](/api/spectrum/FKQp7Dz8Ai5/structure.png?h=300&w=458 "6-(4-(2-((4-(3-((4-Chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazin-6-yl)phenoxy)methyl)benzyloxy)phenyl)-3-((4-chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine")
