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4-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-1H-pyrazol-3-amine
SpectraBase Compound ID KAgUy1SvFuP
InChI InChI=1S/C16H11BrN4S/c17-10-7-5-9(6-8-10)14-13(15(18)21-20-14)16-19-11-3-1-2-4-12(11)22-16/h1-8H,(H3,18,20,21)
InChIKey CRCQAEDYSNYZLB-UHFFFAOYSA-N
Mol Weight 371.26 g/mol
Molecular Formula C16H11BrN4S
Exact Mass 369.988781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjcLy6RsX9S
Name 4-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-1H-pyrazol-3-amine
Appearance Yellow crystals
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Formula C16H11BrN4S
InChI InChI=1S/C16H11BrN4S/c17-10-7-5-9(6-8-10)14-13(15(18)21-20-14)16-19-11-3-1-2-4-12(11)22-16/h1-8H,(H3,18,20,21)
InChIKey CRCQAEDYSNYZLB-UHFFFAOYSA-N
Instrument Name Schimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3524
Molecular Weight 371.256 g/mol
SMILES [nH]1nc(c(-c2sc3ccccc3n2)c1-c1ccc(cc1)Br)N
SPLASH splash10-0w2c-9640000000-42dfc4f2b8ce1baba19c
Source of Spectrum Y-56-SM11-8
Wiley ID 1859527