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3-(6-chloro-7-methyl-1,1-dioxido-2,3-dihydro-1,4,2-benzodithiazin-3-yl)-4H-chromen-4-one
SpectraBase Compound ID 9YdKDMYZ5O
InChI InChI=1S/C17H12ClNO4S2/c1-9-6-15-14(7-12(9)18)24-17(19-25(15,21)22)11-8-23-13-5-3-2-4-10(13)16(11)20/h2-8,17,19H,1H3
InChIKey NMSGPGHVJGBPMU-UHFFFAOYSA-N
Mol Weight 393.86 g/mol
Molecular Formula C17H12ClNO4S2
Exact Mass 392.989628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zwu2O6maHz
Name 3-(6-chloro-7-methyl-1,1-dioxido-2,3-dihydro-1,4,2-benzodithiazin-3-yl)-4H-chromen-4-one
Alternate Name(s) 3-(6-chloro-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4,2-benzodithiazin-3-yl)-1-benzopyran-4-one 3-(6-chloro-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4,2-benzodithiazin-3-yl)chromen-4-one 3-[6-chloranyl-7-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},4,2-benzodithiazin-3-yl]chromen-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H12ClNO4S2
InChI InChI=1S/C17H12ClNO4S2/c1-9-6-15-14(7-12(9)18)24-17(19-25(15,21)22)11-8-23-13-5-3-2-4-10(13)16(11)20/h2-8,17,19H,1H3
InChIKey NMSGPGHVJGBPMU-UHFFFAOYSA-N
Molecular Weight 393.859 g/mol
SMILES N1C(Sc2c(S1(=O)=O)cc(c(c2)Cl)C)C=1C(c2ccccc2OC1)=O
SPLASH splash10-0006-0009000000-f713c8d2e90fd851bd06
Source of Spectrum AJ-42-1301-11
Wiley ID 1568243