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1,1'(4,4'-([1,1'-biphenyl]-4,4'-diyl)bis(5-imino-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl))diethanone
SpectraBase Compound ID 4HL3jF8dviL
InChI InChI=1S/C20H16N6O2S2/c1-11(27)17-23-25(19(21)29-17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)26-20(22)30-18(24-26)12(2)28/h3-10,21-22H,1-2H3
InChIKey ZNIVYCYXLBBROB-UHFFFAOYSA-N
Mol Weight 436.51 g/mol
Molecular Formula C20H16N6O2S2
Exact Mass 436.077616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjnBwzkCTPZ
Name 1,1'(4,4'-([1,1'-biphenyl]-4,4'-diyl)bis(5-imino-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl))diethanone
Appearance Yellow solid
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Formula C20H16N6O2S2
InChI InChI=1S/C20H16N6O2S2/c1-11(27)17-23-25(19(21)29-17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)26-20(22)30-18(24-26)12(2)28/h3-10,21-22H,1-2H3
InChIKey ZNIVYCYXLBBROB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3108
Molecular Weight 436.508 g/mol
SMILES N=C1SC(=NN1c1ccc(-c2ccc(N3N=C(SC3=N)C(=O)C)cc2)cc1)C(=O)C
SPLASH splash10-0fdo-6923100000-8f3ab7e4d41a423f5b79
Source of Spectrum Y-55-850-14
Wiley ID 1879095