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2H-1,3-thiazine-6-carboxylic acid, 2-[[4-(chlorodifluoromethoxy)phenyl]imino]tetrahydro-4-oxo-3-(2-phenylethyl)-, (2E)-
SpectraBase Compound ID 6IQZC7TIt3j
InChI InChI=1S/C20H17ClF2N2O4S/c21-20(22,23)29-15-8-6-14(7-9-15)24-19-25(11-10-13-4-2-1-3-5-13)17(26)12-16(30-19)18(27)28/h1-9,16H,10-12H2,(H,27,28)/b24-19+
InChIKey DWIUVBLOFFSPBB-LYBHJNIJSA-N
Mol Weight 454.88 g/mol
Molecular Formula C20H17ClF2N2O4S
Exact Mass 454.056562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BT9wvtCJe9I
Name 2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxylic acid
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Formula C20H17ClF2N2O4S
InChI InChI=1S/C20H17ClF2N2O4S/c21-20(22,23)29-15-8-6-14(7-9-15)24-19-25(11-10-13-4-2-1-3-5-13)17(26)12-16(30-19)18(27)28/h1-9,16H,10-12H2,(H,27,28)/b24-19+
InChIKey DWIUVBLOFFSPBB-LYBHJNIJSA-N
Molecular Weight 454.876 g/mol
SMILES OC(C1CC(N(\C(S1)=N/c1ccc(OC(F)(F)Cl)cc1)CCc1ccccc1)=O)=O
SPLASH splash10-0udi-5932000000-848467db8188fb35d58b
Wiley ID 1463475