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2-HYDROXY-2-(4-METHYLTHIO-PHENYL)-ETHANOIC-ACID

View entire compound with spectra: 1 NMR

2-HYDROXY-2-(4-METHYLTHIO-PHENYL)-ETHANOIC-ACID
SpectraBase Compound ID 2vExauI1EDk
InChI InChI=1S/C9H10O3S.C3H6O/c1-13-7-4-2-6(3-5-7)8(10)9(11)12;1-3(2)4/h2-5,8,10H,1H3,(H,11,12);1-2H3
InChIKey XZELURLGOHFBMD-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOgcEjjvJiB
Name 2-HYDROXY-2-(4-METHYLTHIO-PHENYL)-ETHANOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O4S
InChI InChI=1S/C9H10O3S.C3H6O/c1-13-7-4-2-6(3-5-7)8(10)9(11)12;1-3(2)4/h2-5,8,10H,1H3,(H,11,12);1-2H3
InChIKey XZELURLGOHFBMD-UHFFFAOYSA-N
Literature Reference Author O.SCHULZE,U.SCHMIDT,J.VOSS,B.NEBELING,G.ADIWIDJAJA,K.SCHARWA ECHTER
Literature Reference Citation BIOORG.MED.CHEM.,9,2105(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00117-1
Molecular Weight 256.317 g/mol
Solvent ACETONE-D6
Source File Reference UWMS22106