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Isothiazol-3(2H)-one, 2-(4-bromo-3-methylphenyl)-5-chloro-4-methyl-, 1,1-dioxide
SpectraBase Compound ID 8XKEez9daFo
InChI InChI=1S/C11H9BrClNO3S/c1-6-5-8(3-4-9(6)12)14-11(15)7(2)10(13)18(14,16)17/h3-5H,1-2H3
InChIKey KGYZZRJQLULKAR-UHFFFAOYSA-N
Mol Weight 350.61 g/mol
Molecular Formula C11H9BrClNO3S
Exact Mass 348.917505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEjSSPmN1kJ
Name Isothiazol-3(2H)-one, 2-(4-bromo-3-methylphenyl)-5-chloro-4-methyl-, 1,1-dioxide
Alternate Name(s) 2-(4-bromanyl-3-methyl-phenyl)-5-chloranyl-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-one 2-(4-bromo-3-methyl-phenyl)-5-chloro-1,1-diketo-4-methyl-isothiazol-3-one 2-(4-bromo-3-methyl-phenyl)-5-chloro-4-methyl-1,1-dioxo-isothiazol-3-one 2-(4-bromo-3-methylphenyl)-5-chloro-4-methyl-1,1-dioxo-1,2-thiazol-3-one 2-(4-bromo-3-methylphenyl)-5-chloro-4-methyl-1,1-dioxo-3-isothiazolone 2-(4-Bromo-3-methylphenyl)-5-chloro-4-methyl-3(2H)-isothiazolone 1,1-dioxide
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Formula C11H9BrClNO3S
InChI InChI=1S/C11H9BrClNO3S/c1-6-5-8(3-4-9(6)12)14-11(15)7(2)10(13)18(14,16)17/h3-5H,1-2H3
InChIKey KGYZZRJQLULKAR-UHFFFAOYSA-N
Molecular Weight 350.614 g/mol
SMILES C1(N(S(C(=C1C)Cl)(=O)=O)c1ccc(c(c1)C)Br)=O
SPLASH splash10-0w4i-9411000000-4441a2529dd844f91828
Wiley ID 1439835