| SpectraBase Spectrum ID |
G6guz5JEnOH |
| Name |
6-(4-(4-((4-(3-((p-Tolyloxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)-methyl)benzyloxy)phenyl)-3-((p-tolyloxy)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 |
806.245744080 u |
| Formula |
C44H38N8O4S2 |
| InChI |
InChI=1S/C44H38N8O4S2/c1-29-3-15-35(16-4-29)55-25-41-45-47-43-51(41)49-39(27-57-43)33-11-19-37(20-12-33)53-23-31-7-9-32(10-8-31)24-54-38-21-13-34(14-22-38)40-28-58-44-48-46-42(52(44)50-40)26-56-36-17-5-30(2)6-18-36/h3-22H,23-28H2,1-2H3 |
| InChIKey |
NOSVAXWMKLEMBR-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2223 |
| Molecular Weight |
806.960 g/mol |
| Quality |
5 |
| SMILES |
C1(=CC=C(C=C1)OCC1=NN=C2SCC(=NN12)C1=CC=C(OCC2=CC=C(COC3=CC=C(C=C3)C3=NN4C(SC3)=NN=C4COC3=CC=C(C=C3)C)C=C2)C=C1)C |
| SPLASH |
splash10-0a4i-0900000000-63bc014cbd86586e36c1 |
| Source of Spectrum |
Y-52-1426-6c (DOI: 10.1002/jhet.2223) |
| Wiley ID |
1902523 |
![6-(4-(4-((4-(3-((p-Tolyloxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)-methyl)benzyloxy)phenyl)-3-((p-tolyloxy)methyl)-7H-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazine](/api/spectrum/G6guz5JEnOH/structure.png?h=300&w=458 "6-(4-(4-((4-(3-((p-Tolyloxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)-methyl)benzyloxy)phenyl)-3-((p-tolyloxy)methyl)-7H-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazine")
