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1,2-Bis{2-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}ethane
SpectraBase Compound ID HfdM2CcxfIr
InChI InChI=1S/C36H26N8O4S2/c45-33-31(23-11-3-1-4-12-23)37-39-35-43(33)41-27(21-49-35)25-15-7-9-17-29(25)47-19-20-48-30-18-10-8-16-26(30)28-22-50-36-40-38-32(34(46)44(36)42-28)24-13-5-2-6-14-24/h1-18H,19-22H2
InChIKey YNGUHZHCKRAPCF-UHFFFAOYSA-N
Mol Weight 698.8 g/mol
Molecular Formula C36H26N8O4S2
Exact Mass 698.151844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdjiqF8tTXV
Name 1,2-Bis{2-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}ethane
Alternate Name(s) 7-[2-[2-[2-(4-oxo-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]ethoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 7-[2-[2-[2-(4-oxidanylidene-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]ethoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
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Formula C36H26N8O4S2
InChI InChI=1S/C36H26N8O4S2/c45-33-31(23-11-3-1-4-12-23)37-39-35-43(33)41-27(21-49-35)25-15-7-9-17-29(25)47-19-20-48-30-18-10-8-16-26(30)28-22-50-36-40-38-32(34(46)44(36)42-28)24-13-5-2-6-14-24/h1-18H,19-22H2
InChIKey YNGUHZHCKRAPCF-UHFFFAOYSA-N
Molecular Weight 698.776 g/mol
SMILES C(COc1c(cccc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1)Oc1c(cccc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1
SPLASH splash10-0udi-0907000000-bd5c73b6c12fe4c5f048
Source of Spectrum Y-49-644-14a
Wiley ID 1716694