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2-[4-(4-bromobenzyl)piperazino]-6-nitro-1,3-benzothiazole
SpectraBase Compound ID INCcuvlQrG1
InChI InChI=1S/C18H17BrN4O2S/c19-14-3-1-13(2-4-14)12-21-7-9-22(10-8-21)18-20-16-6-5-15(23(24)25)11-17(16)26-18/h1-6,11H,7-10,12H2
InChIKey KGCHOLFNNXCHCK-UHFFFAOYSA-N
Mol Weight 433.32 g/mol
Molecular Formula C18H17BrN4O2S
Exact Mass 432.02556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rmzNGRZfha
Name 2-[4-(4-bromobenzyl)piperazino]-6-nitro-1,3-benzothiazole
Alternate Name(s) 2-[4-[(4-bromophenyl)methyl]-1-piperazinyl]-6-nitro-1,3-benzothiazole 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-6-nitro-1,3-benzothiazole
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Formula C18H17BrN4O2S
InChI InChI=1S/C18H17BrN4O2S/c19-14-3-1-13(2-4-14)12-21-7-9-22(10-8-21)18-20-16-6-5-15(23(24)25)11-17(16)26-18/h1-6,11H,7-10,12H2
InChIKey KGCHOLFNNXCHCK-UHFFFAOYSA-N
Molecular Weight 433.324 g/mol
SMILES c1(nc2ccc(N(=O)=O)cc2s1)N1CCN(CC1)Cc1ccc(cc1)Br
SPLASH splash10-00xr-5970000000-2e1325f24c0923d7a7a0
Wiley ID 1454580