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benzoic acid, 4-[[(2E)-6-[[[4-(chlorodifluoromethoxy)phenyl]amino]carbonyl]tetrahydro-3-methyl-4-oxo-2H-1,3-
SpectraBase Compound ID 47R8PQ00tjZ
InChI InChI=1S/C21H18ClF2N3O5S/c1-27-17(28)11-16(18(29)25-13-7-9-15(10-8-13)32-21(22,23)24)33-20(27)26-14-5-3-12(4-6-14)19(30)31-2/h3-10,16H,11H2,1-2H3,(H,25,29)/b26-20+
InChIKey KHKQCIFWWRTALX-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 hsuW2O9p0A
Name 4-[6-[4-(chloro-difluoro-methoxy)-phenylcarbamoyl]-3-methyl-4-oxo-[1,3]thiazinan-2-ylideneamino]-benzoic acid methyl ester
Alternate Name(s) Methyl 4-{[(2E)-6-({4-[chloro(difluoro)methoxy]anilino}carbonyl)-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate Methyl 4-{[6-({4-[chloro(difluoro)methoxy]anilino}carbonyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
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Formula C21H18ClF2N3O5S
InChI InChI=1S/C21H18ClF2N3O5S/c1-27-17(28)11-16(18(29)25-13-7-9-15(10-8-13)32-21(22,23)24)33-20(27)26-14-5-3-12(4-6-14)19(30)31-2/h3-10,16H,11H2,1-2H3,(H,25,29)/b26-20+
InChIKey KHKQCIFWWRTALX-LHLOQNFPSA-N
Molecular Weight 497.901 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(C(=O)OC)cc1)C)=O)=O)c1ccc(OC(F)(F)Cl)cc1
SPLASH splash10-004l-1960100000-3b776ee7b46cd7678008
Wiley ID 1463481