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2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID 4Cp3QsvEKIQ
InChI InChI=1S/C13H11BrF3N3O3S/c1-6(21)19-12(10(22)23-2,13(15,16)17)20-11-18-8-4-3-7(14)5-9(8)24-11/h3-5H,1-2H3,(H,18,20)(H,19,21)
InChIKey PKHMOWAMNDDRME-UHFFFAOYSA-N
Mol Weight 426.21 g/mol
Molecular Formula C13H11BrF3N3O3S
Exact Mass 424.96566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PdORIBwnLn
Name 2-Acetylamino-2-(6-bromo-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
Alternate Name(s) 2-Acetamido-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester 2-Acetamido-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-(acetylamino)-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-acetamido-2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propanoate
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Formula C13H11BrF3N3O3S
InChI InChI=1S/C13H11BrF3N3O3S/c1-6(21)19-12(10(22)23-2,13(15,16)17)20-11-18-8-4-3-7(14)5-9(8)24-11/h3-5H,1-2H3,(H,18,20)(H,19,21)
InChIKey PKHMOWAMNDDRME-UHFFFAOYSA-N
Molecular Weight 426.208 g/mol
SMILES N(c1nc2ccc(cc2s1)Br)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-00or-2397000000-2cd335699b1fc493d864
Wiley ID 1462458