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1-(3,4-METHYLENEDIOXYPHENYL)-PROPANESULFONIC-ACID
SpectraBase Compound ID Ibc22hEfAwD
InChI InChI=1S/C10H12O5S/c1-2-10(16(11,12)13)7-3-4-8-9(5-7)15-6-14-8/h3-5,10H,2,6H2,1H3,(H,11,12,13)
InChIKey OLLVSMRCLSAEMP-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C10H12O5S
Exact Mass 244.040545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhwthwHnOLj
Name 1-(3,4-METHYLENEDIOXYPHENYL)-PROPANESULFONIC-ACID
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O5S
InChI InChI=1S/C10H12O5S/c1-2-10(16(11,12)13)7-3-4-8-9(5-7)15-6-14-8/h3-5,10H,2,6H2,1H3,(H,11,12,13)
InChIKey OLLVSMRCLSAEMP-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 244.262 g/mol
Solvent CD3OD
Source File Reference UWIR17223