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Dimethyl 2,4-bis(benzylsulfonyl)glutarate
SpectraBase Compound ID 9PsLISoqHDc
InChI InChI=1S/C21H24O8S2/c1-28-20(22)18(30(24,25)14-16-9-5-3-6-10-16)13-19(21(23)29-2)31(26,27)15-17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3
InChIKey JQGWAKBEJYKSDI-UHFFFAOYSA-N
Mol Weight 468.54 g/mol
Molecular Formula C21H24O8S2
Exact Mass 468.09126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFQlvyyA5tl
Name Dimethyl 2,4-bis(benzylsulfonyl)glutarate
Alternate Name(s) Dimethyl 2,4-bis(benzylsulfonyl)pentanedioate
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Formula C21H24O8S2
InChI InChI=1S/C21H24O8S2/c1-28-20(22)18(30(24,25)14-16-9-5-3-6-10-16)13-19(21(23)29-2)31(26,27)15-17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3
InChIKey JQGWAKBEJYKSDI-UHFFFAOYSA-N
Molecular Weight 468.535 g/mol
SMILES C(S(Cc1ccccc1)(=O)=O)(CC(S(Cc1ccccc1)(=O)=O)C(=O)OC)C(=O)OC
SPLASH splash10-0006-9000000000-c4fce1720abcbf00888f
Source of Spectrum JA-49-243-0
Wiley ID 1392306