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2-Propene-1,2-disulfonic acid, 3-(4,5-dimethoxyphenyl)-, dimethyl ester
SpectraBase Compound ID 9copglpXfS6
InChI InChI=1S/C13H18O8S2/c1-18-12-6-5-10(8-13(12)19-2)7-11(23(16,17)21-4)9-22(14,15)20-3/h5-8H,9H2,1-4H3/b11-7+
InChIKey LGWQCLYMJHNGBZ-YRNVUSSQSA-N
Mol Weight 366.4 g/mol
Molecular Formula C13H18O8S2
Exact Mass 366.04431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ec6LUmDDijt
Name 2-Propene-1,2-disulfonic acid, 3-(4,5-dimethoxyphenyl)-, dimethyl ester
Alternate Name(s) 1,2-Disulphonomethyl-3-(3',4'-dimethoxyphenyl)-prop-2-ene Dimethyl (2E)-3-(3,4-dimethoxyphenyl)-2-propene-1,2-disulfonate trans-1,3-disulphonomethyl-1-(3',4'-dimethoxyphenyl)-1-propene
CAS Registry Number 104503-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O8S2
InChI InChI=1S/C13H18O8S2/c1-18-12-6-5-10(8-13(12)19-2)7-11(23(16,17)21-4)9-22(14,15)20-3/h5-8H,9H2,1-4H3/b11-7+
InChIKey LGWQCLYMJHNGBZ-YRNVUSSQSA-N
Molecular Weight 366.399 g/mol
SMILES C(\C(S(=O)(=O)OC)=C/c1cc(OC)c(cc1)OC)S(=O)(=O)OC
SPLASH splash10-004i-0923000000-890299cc94f0e8bfcdea
Source of Spectrum I-64-1343-23
Wiley ID 1351611