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benzoic acid, 4-[[[(2E)-2-[[4-(chlorodifluoromethoxy)phenyl]imino]tetrahydro-3-methyl-4-oxo-2H-1,3-thiazin-6-
SpectraBase Compound ID 3z5FkeRxQXX
InChI InChI=1S/C21H18ClF2N3O5S/c1-27-17(28)11-16(18(29)25-13-5-3-12(4-6-13)19(30)31-2)33-20(27)26-14-7-9-15(10-8-14)32-21(22,23)24/h3-10,16H,11H2,1-2H3,(H,25,29)/b26-20+
InChIKey JBQCDGFNZKRMIC-LHLOQNFPSA-N
Mol Weight 497.9 g/mol
Molecular Formula C21H18ClF2N3O5S
Exact Mass 497.062376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lUSCl544c9
Name 4-([2-[4-(chloro-difluoro-methoxy)-phenylimino]-3-methyl-4-oxo-[1,3]thiazinane-6-carbonyl]-amino)-benzoic acid methyl ester
Alternate Name(s) Methyl 4-({[(2E)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate Methyl 4-({[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
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Formula C21H18ClF2N3O5S
InChI InChI=1S/C21H18ClF2N3O5S/c1-27-17(28)11-16(18(29)25-13-5-3-12(4-6-13)19(30)31-2)33-20(27)26-14-7-9-15(10-8-14)32-21(22,23)24/h3-10,16H,11H2,1-2H3,(H,25,29)/b26-20+
InChIKey JBQCDGFNZKRMIC-LHLOQNFPSA-N
Molecular Weight 497.901 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(OC(Cl)(F)F)cc1)C)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-014j-2957400000-d9c78fca33e4564bee5e
Wiley ID 1463472