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1,3-Bis{2-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}-propane
SpectraBase Compound ID HCL4DyRomf2
InChI InChI=1S/C37H28N8O4S2/c46-34-32(24-12-3-1-4-13-24)38-40-36-44(34)42-28(22-50-36)26-16-7-9-18-30(26)48-20-11-21-49-31-19-10-8-17-27(31)29-23-51-37-41-39-33(35(47)45(37)43-29)25-14-5-2-6-15-25/h1-10,12-19H,11,20-23H2
InChIKey NEMOWQKXFTZKRG-UHFFFAOYSA-N
Mol Weight 712.8 g/mol
Molecular Formula C37H28N8O4S2
Exact Mass 712.167494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzYfZgwYzWR
Name 1,3-Bis{2-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}-propane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H28N8O4S2
InChI InChI=1S/C37H28N8O4S2/c46-34-32(24-12-3-1-4-13-24)38-40-36-44(34)42-28(22-50-36)26-16-7-9-18-30(26)48-20-11-21-49-31-19-10-8-17-27(31)29-23-51-37-41-39-33(35(47)45(37)43-29)25-14-5-2-6-15-25/h1-10,12-19H,11,20-23H2
InChIKey NEMOWQKXFTZKRG-UHFFFAOYSA-N
Molecular Weight 712.803 g/mol
SMILES C(CCOc1c(cccc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1)Oc1c(cccc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1
SPLASH splash10-0kdi-6961000100-9fcac5b50c66d3bb3849
Source of Spectrum Y-49-644-14b
Synonyms 7-[2-[3-[2-(4-oxo-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]propoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 7-[2-[3-[2-(4-oxidanylidene-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]propoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
Wiley ID 1716693