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1,3-Benzenedicarboxylic acid, 5-[(propylsulfonyl)oxy]-, dimethyl ester
SpectraBase Compound ID 4gfxY8N6bXV
InChI InChI=1S/C13H16O7S/c1-4-5-21(16,17)20-11-7-9(12(14)18-2)6-10(8-11)13(15)19-3/h6-8H,4-5H2,1-3H3
InChIKey MAUGFTFCMYBBLO-UHFFFAOYSA-N
Mol Weight 316.32 g/mol
Molecular Formula C13H16O7S
Exact Mass 316.061674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsHZfSdr2vZ
Name 1,3-Benzenedicarboxylic acid, 5-[(propylsulfonyl)oxy]-, dimethyl ester
Alternate Name(s) Dimethyl 5-((propylsulfonyl)oxy)isophthalate Dimethyl 5-[(propylsulfonyl)oxy]benzene-1,3-dicarboxylate Dimethyl 5-propylsulfonyloxybenzene-1,3-dicarboxylate
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Formula C13H16O7S
InChI InChI=1S/C13H16O7S/c1-4-5-21(16,17)20-11-7-9(12(14)18-2)6-10(8-11)13(15)19-3/h6-8H,4-5H2,1-3H3
InChIKey MAUGFTFCMYBBLO-UHFFFAOYSA-N
Molecular Weight 316.324 g/mol
SMILES CCCS(=O)(=O)Oc1cc(cc(c1)C(=O)OC)C(=O)OC
SPLASH splash10-03fr-5892000000-6a63a3545925bf576aaf
Source of Spectrum JX-2015-3-110
Wiley ID 1723709