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1,4-Bis{4-(3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-yl)phenoxy}butane
SpectraBase Compound ID GKO4z4cQLCi
InChI InChI=1S/C36H30N8O2S2/c1-3-9-27(10-4-1)33-37-39-35-43(33)41-31(23-47-35)25-13-17-29(18-14-25)45-21-7-8-22-46-30-19-15-26(16-20-30)32-24-48-36-40-38-34(44(36)42-32)28-11-5-2-6-12-28/h1-6,9-20H,7-8,21-24H2
InChIKey BBSAEDPXBXFSHY-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C36H30N8O2S2
Exact Mass 670.193315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QJplbBnG4
Name 1,4-Bis{4-(3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-yl)phenoxy}butane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30N8O2S2
InChI InChI=1S/C36H30N8O2S2/c1-3-9-27(10-4-1)33-37-39-35-43(33)41-31(23-47-35)25-13-17-29(18-14-25)45-21-7-8-22-46-30-19-15-26(16-20-30)32-24-48-36-40-38-34(44(36)42-32)28-11-5-2-6-12-28/h1-6,9-20H,7-8,21-24H2
InChIKey BBSAEDPXBXFSHY-UHFFFAOYSA-N
Molecular Weight 670.810 g/mol
SMILES C(CCCOc1ccc(cc1)C1=N[n]2c(SC1)nnc2-c1ccccc1)Oc1ccc(cc1)C1=N[n]2c(SC1)nnc2-c1ccccc1
SPLASH splash10-0a59-8319203000-304d89c0ee44ba4564b1
Source of Spectrum Y-49-644-11b
Wiley ID 1716696