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1-(4-HYDROXY-3-METHOXYPHENYL)-ETHANESULFONIC-ACID
SpectraBase Compound ID 4RJwGOPtUqp
InChI InChI=1S/C9H12O5S/c1-6(15(11,12)13)7-3-4-8(10)9(5-7)14-2/h3-6,10H,1-2H3,(H,11,12,13)
InChIKey WHJDNQHMSPQBRS-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 LLHUiZGouZK
Name 1-(4-HYDROXY-3-METHOXYPHENYL)-ETHANESULFONIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O5S
InChI InChI=1S/C9H12O5S/c1-6(15(11,12)13)7-3-4-8(10)9(5-7)14-2/h3-6,10H,1-2H3,(H,11,12,13)
InChIKey WHJDNQHMSPQBRS-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 UWIR17205