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2-(2-Amino-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester
SpectraBase Compound ID J3tWL46UEyo
InChI InChI=1S/C12H11F3N2O3S/c1-2-20-9(18)11(19,12(13,14)15)6-3-4-7-8(5-6)21-10(16)17-7/h3-5,19H,2H2,1H3,(H2,16,17)
InChIKey RXFFHJBWYLTWML-UHFFFAOYSA-N
Mol Weight 320.29 g/mol
Molecular Formula C12H11F3N2O3S
Exact Mass 320.044248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hG3X3ZC1uo
Name 2-(2-Amino-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester
Alternate Name(s) 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester Ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propanoate Ethyl 2-(2-azanyl-1,3-benzothiazol-6-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
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Formula C12H11F3N2O3S
InChI InChI=1S/C12H11F3N2O3S/c1-2-20-9(18)11(19,12(13,14)15)6-3-4-7-8(5-6)21-10(16)17-7/h3-5,19H,2H2,1H3,(H2,16,17)
InChIKey RXFFHJBWYLTWML-UHFFFAOYSA-N
Molecular Weight 320.286 g/mol
SMILES Nc1sc2cc(C(C(F)(F)F)(C(=O)OCC)O)ccc2n1
SPLASH splash10-0f92-4940000000-ced4d67c8635bf940e71
Wiley ID 1465791