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3-(3,4-DIMETHOXYPHENYL)-3-SULFOPROPANOIC-ACID-METHYLESTER
SpectraBase Compound ID 5WwgqEIXevQ
InChI InChI=1S/C12H16O7S/c1-17-9-5-4-8(6-10(9)18-2)11(20(14,15)16)7-12(13)19-3/h4-6,11H,7H2,1-3H3,(H,14,15,16)
InChIKey FGNJLFNCJROQDF-UHFFFAOYSA-N
Mol Weight 304.31 g/mol
Molecular Formula C12H16O7S
Exact Mass 304.061674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H29zgpUF7HB
Name 3-(3,4-DIMETHOXYPHENYL)-3-SULFOPROPANOIC-ACID-METHYLESTER
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O7S
InChI InChI=1S/C12H16O7S/c1-17-9-5-4-8(6-10(9)18-2)11(20(14,15)16)7-12(13)19-3/h4-6,11H,7H2,1-3H3,(H,14,15,16)
InChIKey FGNJLFNCJROQDF-UHFFFAOYSA-N
Literature Reference Author B.L.LUTNAES,B.O.MYRVOLD,R.A.LAUTEN,M.M.ENDESHAW
Literature Reference Citation MAGN.RES.CHEM.,46,299(2008)
Literature Reference DOI 10.1002/mrc.2184
Molecular Weight 304.315 g/mol
Solvent D2O
Source File Reference UWIR17218