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[4-bromanyl-6-[(4-methylphenyl)sulfonyloxymethyl]pyridin-2-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID 5x7E9BceS0I
InChI InChI=1S/C21H20BrNO6S2/c1-15-3-7-20(8-4-15)30(24,25)28-13-18-11-17(22)12-19(23-18)14-29-31(26,27)21-9-5-16(2)6-10-21/h3-12H,13-14H2,1-2H3
InChIKey ABXWWSMQGLCPSU-UHFFFAOYSA-N
Mol Weight 526.42 g/mol
Molecular Formula C21H20BrNO6S2
Exact Mass 524.991543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAYDofl4zPU
Name [4-bromanyl-6-[(4-methylphenyl)sulfonyloxymethyl]pyridin-2-yl]methyl 4-methylbenzenesulfonate
Alternate Name(s) [4-bromo-6-(p-tolylsulfonyloxymethyl)-2-pyridyl]methyl 4-methylbenzenesulfonate [4-bromo-6-[(4-methylphenyl)sulfonyloxymethyl]pyridin-2-yl]methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4-bromo-6-[(4-methylphenyl)sulfonyloxymethyl]-2-pyridinyl]methyl ester
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Formula C21H20BrNO6S2
InChI InChI=1S/C21H20BrNO6S2/c1-15-3-7-20(8-4-15)30(24,25)28-13-18-11-17(22)12-19(23-18)14-29-31(26,27)21-9-5-16(2)6-10-21/h3-12H,13-14H2,1-2H3
InChIKey ABXWWSMQGLCPSU-UHFFFAOYSA-N
Molecular Weight 526.416 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)c1nc(COS(c2ccc(cc2)C)(=O)=O)cc(c1)Br
SPLASH splash10-0006-9101010000-415f2a3478e7223d0f2b
Source of Spectrum KC-0-1746-6
Wiley ID 828291