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1,4-Bis{4-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}butane
SpectraBase Compound ID 6qTjd45vvH6
InChI InChI=1S/C38H30N8O4S2/c47-35-33(27-9-3-1-4-10-27)39-41-37-45(35)43-31(23-51-37)25-13-17-29(18-14-25)49-21-7-8-22-50-30-19-15-26(16-20-30)32-24-52-38-42-40-34(36(48)46(38)44-32)28-11-5-2-6-12-28/h1-6,9-20H,7-8,21-24H2
InChIKey GCLJKVMYDUBKDD-UHFFFAOYSA-N
Mol Weight 726.8 g/mol
Molecular Formula C38H30N8O4S2
Exact Mass 726.183144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7UOOWyE77G
Name 1,4-Bis{4-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}butane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H30N8O4S2
InChI InChI=1S/C38H30N8O4S2/c47-35-33(27-9-3-1-4-10-27)39-41-37-45(35)43-31(23-51-37)25-13-17-29(18-14-25)49-21-7-8-22-50-30-19-15-26(16-20-30)32-24-52-38-42-40-34(36(48)46(38)44-32)28-11-5-2-6-12-28/h1-6,9-20H,7-8,21-24H2
InChIKey GCLJKVMYDUBKDD-UHFFFAOYSA-N
Molecular Weight 726.830 g/mol
SMILES C(CCCOc1ccc(cc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1)Oc1ccc(cc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1
SPLASH splash10-0fb9-4920000000-f674dbe23f2365584c25
Source of Spectrum Y-49-644-15
Synonyms 7-[4-[4-[4-(4-oxo-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]butoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 7-[4-[4-[4-(4-oxidanylidene-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]butoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
Wiley ID 1716691