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Benzoic acid, 2-chloro-3,5-bis(phenylsulfonyl)-, methyl ester
SpectraBase Compound ID 5evxWJfEi33
InChI InChI=1S/C20H15ClO6S2/c1-27-20(22)17-12-16(28(23,24)14-8-4-2-5-9-14)13-18(19(17)21)29(25,26)15-10-6-3-7-11-15/h2-13H,1H3
InChIKey OQWRSUBBGPDEHU-UHFFFAOYSA-N
Mol Weight 450.91 g/mol
Molecular Formula C20H15ClO6S2
Exact Mass 449.999858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JBKEjBpA0G
Name Benzoic acid, 2-chloro-3,5-bis(phenylsulfonyl)-, methyl ester
Alternate Name(s) Methyl 2-chloro-3,5-bis(phenylsulfonyl)benzoate 3,5-Bis(benzenesulfonyl)-2-chlorobenzoic acid methyl ester Methyl 3,5-bis(benzenesulfonyl)-2-chlorobenzoate Methyl 3,5-bis(benzenesulfonyl)-2-chloro-benzoate Methyl 2-chloranyl-3,5-bis(phenylsulfonyl)benzoate
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Formula C20H15ClO6S2
InChI InChI=1S/C20H15ClO6S2/c1-27-20(22)17-12-16(28(23,24)14-8-4-2-5-9-14)13-18(19(17)21)29(25,26)15-10-6-3-7-11-15/h2-13H,1H3
InChIKey OQWRSUBBGPDEHU-UHFFFAOYSA-N
Molecular Weight 450.907 g/mol
SMILES COC(=O)c1cc(cc(c1Cl)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
SPLASH splash10-004i-9502200000-33006e26f2289d1f4015
Source of Spectrum JX-2015-4-619
Wiley ID 1726043