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3-Bromo-4-oxopyrazolo[3',4' : 4,5]pyrimido[2,1-b]benzothiazole
SpectraBase Compound ID KOM3Dfvcglb
InChI InChI=1S/C11H5BrN4OS/c12-8-7-9(15-14-8)13-11-16(10(7)17)5-3-1-2-4-6(5)18-11/h1-4H,(H,14,15)
InChIKey YUBAITUMTKSZIX-UHFFFAOYSA-N
Mol Weight 321.15 g/mol
Molecular Formula C11H5BrN4OS
Exact Mass 319.936745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2arnw95h1k
Name 3-Bromo-4-oxopyrazolo[3',4' : 4,5]pyrimido[2,1-b]benzothiazole
Comments Less than 3 mono-isotopic peaks
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Formula C11H5BrN4OS
InChI InChI=1S/C11H5BrN4OS/c12-8-7-9(15-14-8)13-11-16(10(7)17)5-3-1-2-4-6(5)18-11/h1-4H,(H,14,15)
InChIKey YUBAITUMTKSZIX-UHFFFAOYSA-N
Molecular Weight 321.152 g/mol
SMILES [nH]1nc(c2c1N=C1N(C2=O)c2c(S1)cccc2)Br
SPLASH splash10-00di-0009000000-c19dd6534f894f14a124
Source of Spectrum Y-40-549-5
Synonyms 3-bromopyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol-4(1H)-one
Wiley ID 1528945