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1,3-Benzenedicarboxylic acid, 5-[[(4-bromophenyl)sulfonyl]oxy]-, dimethyl ester
SpectraBase Compound ID 3o8I2Kx7p7v
InChI InChI=1S/C16H13BrO7S/c1-22-15(18)10-7-11(16(19)23-2)9-13(8-10)24-25(20,21)14-5-3-12(17)4-6-14/h3-9H,1-2H3
InChIKey ZTIGKPUKHFQLFW-UHFFFAOYSA-N
Mol Weight 429.24 g/mol
Molecular Formula C16H13BrO7S
Exact Mass 427.956537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83tIw8AzOmY
Name 1,3-Benzenedicarboxylic acid, 5-[[(4-bromophenyl)sulfonyl]oxy]-, dimethyl ester
Alternate Name(s) Dimethyl 5-(((4-bromophenyl)sulfonyl)oxy)isophthalate Dimethyl 5-{[(4-bromophenyl)sulfonyl]oxy}benzene-1,3-dicarboxylate 5-(4-bromophenyl)sulfonyloxybenzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-(4-bromophenyl)sulfonyloxybenzene-1,3-dicarboxylate
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Formula C16H13BrO7S
InChI InChI=1S/C16H13BrO7S/c1-22-15(18)10-7-11(16(19)23-2)9-13(8-10)24-25(20,21)14-5-3-12(17)4-6-14/h3-9H,1-2H3
InChIKey ZTIGKPUKHFQLFW-UHFFFAOYSA-N
Molecular Weight 429.237 g/mol
SMILES COC(=O)c1cc(OS(=O)(=O)c2ccc(Br)cc2)cc(c1)C(=O)OC
SPLASH splash10-0q59-9731200000-5d5c7b134575f64afa28
Source of Spectrum JX-2015-4-374
Wiley ID 1725816