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3,3'(4,4'-Diphenylsulfone-4,4'-diyl)bis(2-imino-5-acetyl-1,3,4-thiadiazole)
SpectraBase Compound ID 27poczjZQkG
InChI InChI=1S/C20H16N6O4S3/c1-11(27)17-23-25(19(21)31-17)13-3-7-15(8-4-13)33(29,30)16-9-5-14(6-10-16)26-20(22)32-18(24-26)12(2)28/h3-10,21-22H,1-2H3
InChIKey MGOMYOXNLRARCM-UHFFFAOYSA-N
Mol Weight 500.57 g/mol
Molecular Formula C20H16N6O4S3
Exact Mass 500.039517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBGjvw5EhQ1
Name 3,3'(4,4'-Diphenylsulfone-4,4'-diyl)bis(2-imino-5-acetyl-1,3,4-thiadiazole)
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N6O4S3
InChI InChI=1S/C20H16N6O4S3/c1-11(27)17-23-25(19(21)31-17)13-3-7-15(8-4-13)33(29,30)16-9-5-14(6-10-16)26-20(22)32-18(24-26)12(2)28/h3-10,21-22H,1-2H3
InChIKey MGOMYOXNLRARCM-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2320
Molecular Weight 500.566 g/mol
SMILES N=C1SC(=NN1c1ccc(S(c2ccc(N3N=C(SC3=N)C(C)=O)cc2)(=O)=O)cc1)C(=O)C
SPLASH splash10-00lr-9030310000-e5c3ae27bfdf2dab10a2
Source of Spectrum Y-53-261-26
Wiley ID 1876294