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4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
SpectraBase Compound ID 99C2xmVKwk3
InChI InChI=1S/C11H9BrN2O3S/c12-6-1-2-7-8(5-6)18-11(13-7)14-9(15)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)(H,13,14,15)
InChIKey QKIITPHTHYOPGU-UHFFFAOYSA-N
Mol Weight 329.17 g/mol
Molecular Formula C11H9BrN2O3S
Exact Mass 327.951726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVzWSjelr2Z
Name 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Alternate Name(s) 4-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid
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Formula C11H9BrN2O3S
InChI InChI=1S/C11H9BrN2O3S/c12-6-1-2-7-8(5-6)18-11(13-7)14-9(15)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)(H,13,14,15)
InChIKey QKIITPHTHYOPGU-UHFFFAOYSA-N
Molecular Weight 329.168 g/mol
SMILES N(C(CCC(=O)O)=O)c1sc2cc(ccc2n1)Br
SPLASH splash10-057l-9771000000-7ea8fffc8a13c29050d3
Wiley ID 1450457