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2-Acetamido-3,3,3-trifluoro-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propanoic acid methyl ester
SpectraBase Compound ID 6cjnnqtE699
InChI InChI=1S/C14H11F6N3O4S/c1-6(24)22-12(10(25)26-2,13(15,16)17)23-11-21-8-4-3-7(5-9(8)28-11)27-14(18,19)20/h3-5H,1-2H3,(H,21,23)(H,22,24)
InChIKey HRQBVDHBRPKBQB-UHFFFAOYSA-N
Mol Weight 431.31 g/mol
Molecular Formula C14H11F6N3O4S
Exact Mass 431.037446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA4KpKsXqQr
Name 2-Acetamido-3,3,3-trifluoro-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propanoic acid methyl ester
Alternate Name(s) 2-Acetamido-3,3,3-trifluoro-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propionic acid methyl ester Methyl 2-acetamido-3,3,3-trifluoro-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propanoate Methyl 2-acetamido-3,3,3-tris(fluoranyl)-2-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]amino]propanoate Propionic acid, 2-acetylamino-3,3,3-trifluoro-2-(6-trifluoromethoxybenzothiazol-2-ylamino)-, methyl ester
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Formula C14H11F6N3O4S
InChI InChI=1S/C14H11F6N3O4S/c1-6(24)22-12(10(25)26-2,13(15,16)17)23-11-21-8-4-3-7(5-9(8)28-11)27-14(18,19)20/h3-5H,1-2H3,(H,21,23)(H,22,24)
InChIKey HRQBVDHBRPKBQB-UHFFFAOYSA-N
Molecular Weight 431.309 g/mol
SMILES N(c1nc2ccc(OC(F)(F)F)cc2s1)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-000x-9344000000-4d6ac5eb886644145210
Wiley ID 1440534