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1-(3,4-DIHYDROXYPHENYL)-PROPANESULFONIC-ACID
SpectraBase Compound ID KetSkGv2DvA
InChI InChI=1S/C9H12O5S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9-11H,2H2,1H3,(H,12,13,14)
InChIKey OISDWHNLGYWNPF-UHFFFAOYSA-N
Mol Weight 232.25 g/mol
Molecular Formula C9H12O5S
Exact Mass 232.040545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2BERBO7OTA
Name 1-(3,4-DIHYDROXYPHENYL)-PROPANESULFONIC-ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O5S
InChI InChI=1S/C9H12O5S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9-11H,2H2,1H3,(H,12,13,14)
InChIKey OISDWHNLGYWNPF-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 232.251 g/mol
Solvent CD3OD
Source File Reference UWIR17222