| SpectraBase Spectrum ID |
Kw258YXbqgx |
| Name |
6-(4-(3-((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/c43-31-8-16-35(17-9-31)55-23-39-45-47-41-51(39)49-37(25-57-41)29-4-12-33(13-5-29)53-21-27-2-1-3-28(20-27)22-54-34-14-6-30(7-15-34)38-26-58-42-48-46-40(52(42)50-38)24-56-36-18-10-32(44)11-19-36/h1-20H,21-26H2 |
| InChIKey |
XABDPSIZMNXBPL-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2223 |
| Molecular Weight |
847.796 g/mol |
| SMILES |
C=1(N2C(=NN1)SCC(=N2)C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC=1C=CC(=CC1)C1=NN2C(COC3=CC=C(C=C3)Cl)=NN=C2SC1)COC1=CC=C(C=C1)Cl |
| SPLASH |
splash10-0006-0090000000-18fcfd2149c15fd12481 |
| Source of Spectrum |
Y-52-1425-5b (DOI: 10.1002/jhet.2223) |
| Wiley ID |
1902520 |
![6-(4-(3-((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/Kw258YXbqgx/structure.png?h=300&w=458 "6-(4-(3-((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")
