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1,1'(Sulfonylbis(4,1-phenylene))bis(3-acetyl-1-phenyl[1,2,4]triazolo[4,5-a]benzimidazole)
SpectraBase Compound ID 3mXzHrtMdQv
InChI InChI=1S/C32H22N8O4S/c1-19(41)29-35-39(31-33-25-7-3-5-9-27(25)37(29)31)21-11-15-23(16-12-21)45(43,44)24-17-13-22(14-18-24)40-32-34-26-8-4-6-10-28(26)38(32)30(36-40)20(2)42/h3-18H,1-2H3
InChIKey ASIFBJXRBFNGHU-UHFFFAOYSA-N
Mol Weight 614.6 g/mol
Molecular Formula C32H22N8O4S
Exact Mass 614.148472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7uSrzMYUzS
Name 1,1'(Sulfonylbis(4,1-phenylene))bis(3-acetyl-1-phenyl[1,2,4]triazolo[4,5-a]benzimidazole)
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H22N8O4S
InChI InChI=1S/C32H22N8O4S/c1-19(41)29-35-39(31-33-25-7-3-5-9-27(25)37(29)31)21-11-15-23(16-12-21)45(43,44)24-17-13-22(14-18-24)40-32-34-26-8-4-6-10-28(26)38(32)30(36-40)20(2)42/h3-18H,1-2H3
InChIKey ASIFBJXRBFNGHU-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2320
Molecular Weight 614.640 g/mol
SMILES c1cc(S(=O)(=O)c2ccc(N3N=C(C(C)=O)[n]4c5ccccc5nc34)cc2)ccc1N1c2nc3ccccc3[n]2C(C(C)=O)=N1
SPLASH splash10-03e9-9111110000-0500bf82a6c9edf70773
Source of Spectrum Y-53-260-17a
Wiley ID 1876289