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1,4-Bis{4-(3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-yl)-phenoxy}butane
SpectraBase Compound ID Z8cu7q9GE7
InChI InChI=1S/C36H34N8O2S2/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/h1-6,9-20,31-32,41-42H,7-8,21-24H2
InChIKey PSGGOYTUPUCGJW-UHFFFAOYSA-N
Mol Weight 674.8 g/mol
Molecular Formula C36H34N8O2S2
Exact Mass 674.224615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 492hQxmFKy
Name 1,4-Bis{4-(3-phenyl-6,7-dihydro-5H-[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 C36H34N8O2S2
InChI InChI=1S/C36H34N8O2S2/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/h1-6,9-20,31-32,41-42H,7-8,21-24H2
InChIKey PSGGOYTUPUCGJW-UHFFFAOYSA-N
Molecular Weight 674.842 g/mol
SMILES N1C(c2ccc(OCCCCOc3ccc(C4CSc5[n](c(nn5)-c5ccccc5)N4)cc3)cc2)CSc2[n]1c(nn2)-c1ccccc1
SPLASH splash10-0api-7019503000-5318c3e9736015709dd4
Source of Spectrum Y-49-644-12a
Wiley ID 1716690