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(S)-GAMMA-(2-METHYLSULFONYLPYRIMIDIN-4-YL)-ALPHA-AMINOBUTYRIC-ACID
SpectraBase Compound ID JnOggCNCZk2
InChI InChI=1S/C9H13N3O4S/c1-17(15,16)9-11-5-4-6(12-9)2-3-7(10)8(13)14/h4-5,7H,2-3,10H2,1H3,(H,13,14)/t7-/m1/s1
InChIKey GRSIQKRPRGAUMI-SSDOTTSWSA-N
Mol Weight 259.28 g/mol
Molecular Formula C9H13N3O4S
Exact Mass 259.062677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6C0BeEtIueW
Name (S)-GAMMA-(2-METHYLSULFONYLPYRIMIDIN-4-YL)-ALPHA-AMINOBUTYRIC-ACID
Compound Number 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13N3O4S
InChI InChI=1S/C9H13N3O4S/c1-17(15,16)9-11-5-4-6(12-9)2-3-7(10)8(13)14/h4-5,7H,2-3,10H2,1H3,(H,13,14)/t7-/m1/s1
InChIKey GRSIQKRPRGAUMI-SSDOTTSWSA-N
Literature Reference Author R.M.ADLINGTON,J.E.BALDWIN,D.CATTERICK,G.J.PRITCHARD
Literature Reference Citation J.CHEM.SOC.PERKIN-1,855(1999)
Literature Reference DOI 10.1039/a806741d
Molecular Weight 259.280 g/mol
Solvent D2O
Source File Reference UWPA570