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2-(4-Bromophenylamino)-1,2-bis(2-thioxobenzo[d]thiazol-3(2H)-yl)ethanone
SpectraBase Compound ID 9B2FRJmQ0GK
InChI InChI=1S/C22H14BrN3OS4/c23-13-9-11-14(12-10-13)24-19(25-15-5-1-3-7-17(15)30-21(25)28)20(27)26-16-6-2-4-8-18(16)31-22(26)29/h1-12,19,24H
InChIKey GWBRWHNRCJTFNK-UHFFFAOYSA-N
Mol Weight 544.5 g/mol
Molecular Formula C22H14BrN3OS4
Exact Mass 542.92031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46OA1OUowy
Name 2-(4-Bromophenylamino)-1,2-bis(2-thioxobenzo[d]thiazol-3(2H)-yl)ethanone
Appearance Yellow needles
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Formula C22H14BrN3OS4
InChI InChI=1S/C22H14BrN3OS4/c23-13-9-11-14(12-10-13)24-19(25-15-5-1-3-7-17(15)30-21(25)28)20(27)26-16-6-2-4-8-18(16)31-22(26)29/h1-12,19,24H
InChIKey GWBRWHNRCJTFNK-UHFFFAOYSA-N
Instrument Name Shimadzu Japan QP2010 S
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2011.01.029
Molecular Weight 544.518 g/mol
SMILES N(c1ccc(Br)cc1)C(C(=O)N1C(Sc2c1cccc2)=S)N1c2ccccc2SC1=S
SPLASH splash10-0adl-8951110000-4ff9b7238d2b9e601730
Source of Spectrum AJC-7-902-9c
Wiley ID 1857036