| SpectraBase Spectrum ID |
3RN179hOOIF |
| Name |
6-(4-(4-((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)29-5-13-33(14-6-29)53-21-27-1-2-28(4-3-27)22-54-34-15-7-30(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 |
OGWJDQJEVFAKBA-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2223 |
| Molecular Weight |
847.796 g/mol |
| SMILES |
C1(=NN=C2SCC(=NN12)C1=CC=C(C=C1)OCC1=CC=C(C=C1)COC1=CC=C(C=C1)C1=NN2C(SC1)=NN=C2COC1=CC=C(C=C1)Cl)COC1=CC=C(C=C1)Cl |
| SPLASH |
splash10-0002-0090000000-4c8a1548c3c8556bd9f6 |
| Source of Spectrum |
Y-52-1426-6b (DOI: 10.1002/jhet.2223) |
| Wiley ID |
1902522 |
![6-(4-(4-((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/3RN179hOOIF/structure.png?h=300&w=458 "6-(4-(4-((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")
