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2H-[1,3,5]Triazino[2,1-b][1,3]benzothiazole-2-carboxylic acid, 3,4-dihydro-4-oxo-2-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID LmaWT5UjaBh
InChI InChI=1S/C12H8F3N3O3S/c1-21-8(19)11(12(13,14)15)16-9(20)18-6-4-2-3-5-7(6)22-10(18)17-11/h2-5H,1H3,(H,16,20)
InChIKey DXKKAUDSUCMQLH-UHFFFAOYSA-N
Mol Weight 331.27 g/mol
Molecular Formula C12H8F3N3O3S
Exact Mass 331.023847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpRBQNv4IYE
Name 2H-[1,3,5]Triazino[2,1-b][1,3]benzothiazole-2-carboxylic acid, 3,4-dihydro-4-oxo-2-(trifluoromethyl)-, methyl ester
Alternate Name(s) 4-Oxo-2-(trifluoromethyl)-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylic acid methyl ester Methyl 4-oxo-2-(trifluoromethyl)-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate Methyl 4-oxidanylidene-2-(trifluoromethyl)-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
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Formula C12H8F3N3O3S
InChI InChI=1S/C12H8F3N3O3S/c1-21-8(19)11(12(13,14)15)16-9(20)18-6-4-2-3-5-7(6)22-10(18)17-11/h2-5H,1H3,(H,16,20)
InChIKey DXKKAUDSUCMQLH-UHFFFAOYSA-N
Molecular Weight 331.269 g/mol
SMILES N1C(N=C2N(C1=O)c1c(S2)cccc1)(C(F)(F)F)C(OC)=O
SPLASH splash10-00e9-6690000000-bea4ce17ebdf60c8fce8
Source of Spectrum IY-1-4322-1
Wiley ID 1651204