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3-Bromo-4-oxo-2-phenylpyrazolo[3',4' : 4,5]pyrimido[2,1-b]benzothiazole
SpectraBase Compound ID JKAOn19LO5N
InChI InChI=1S/C17H9BrN4OS/c18-14-13-15(20-22(14)10-6-2-1-3-7-10)19-17-21(16(13)23)11-8-4-5-9-12(11)24-17/h1-9H
InChIKey PWFZVTZRMZCLEA-UHFFFAOYSA-N
Mol Weight 397.25 g/mol
Molecular Formula C17H9BrN4OS
Exact Mass 395.968045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KckFVg9UM78
Name 3-Bromo-4-oxo-2-phenylpyrazolo[3',4' : 4,5]pyrimido[2,1-b]benzothiazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H9BrN4OS
InChI InChI=1S/C17H9BrN4OS/c18-14-13-15(20-22(14)10-6-2-1-3-7-10)19-17-21(16(13)23)11-8-4-5-9-12(11)24-17/h1-9H
InChIKey PWFZVTZRMZCLEA-UHFFFAOYSA-N
Molecular Weight 397.250 g/mol
SMILES C1=2N(C(c3c(N2)n[n](c3Br)-c2ccccc2)=O)c2c(S1)cccc2
SPLASH splash10-0002-0009000000-f411470c5e8dbb4acefb
Source of Spectrum Y-40-550-5
Synonyms 3-bromo-2-phenylpyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol-4(2H)-one
Wiley ID 1528944