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3-(4-HYDROXY-3-METHOXYPHENYL)-3-SULFOPROPANOIC-ACID
SpectraBase Compound ID e9eqviaGDD
InChI InChI=1S/C10H12O7S/c1-17-8-4-6(2-3-7(8)11)9(5-10(12)13)18(14,15)16/h2-4,9,11H,5H2,1H3,(H,12,13)(H,14,15,16)
InChIKey OMRTXIDPFFMVOX-UHFFFAOYSA-N
Mol Weight 276.26 g/mol
Molecular Formula C10H12O7S
Exact Mass 276.030374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpZLBme6PR0
Name 3-(4-HYDROXY-3-METHOXYPHENYL)-3-SULFOPROPANOIC-ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O7S
InChI InChI=1S/C10H12O7S/c1-17-8-4-6(2-3-7(8)11)9(5-10(12)13)18(14,15)16/h2-4,9,11H,5H2,1H3,(H,12,13)(H,14,15,16)
InChIKey OMRTXIDPFFMVOX-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 276.261 g/mol
Solvent CD3OD
Source File Reference UWIR17211