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(S)-GAMMA-(2-METHYLTHIO-6-PROPYLPYRIMIDIN-4-YL)-ALPHA-AMINOBUTYRIC-ACID
SpectraBase Compound ID 33gwMx2a77i
InChI InChI=1S/C12H19N3O2S/c1-3-4-8-7-9(15-12(14-8)18-2)5-6-10(13)11(16)17/h7,10H,3-6,13H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKey JWJIAWYYNYCBAB-JTQLQIEISA-N
Mol Weight 269.36 g/mol
Molecular Formula C12H19N3O2S
Exact Mass 269.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENiWttkhxzE
Name (S)-GAMMA-(2-METHYLTHIO-6-PROPYLPYRIMIDIN-4-YL)-ALPHA-AMINOBUTYRIC-ACID
Compound Number 48
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Formula C12H19N3O2S
InChI InChI=1S/C12H19N3O2S/c1-3-4-8-7-9(15-12(14-8)18-2)5-6-10(13)11(16)17/h7,10H,3-6,13H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKey JWJIAWYYNYCBAB-JTQLQIEISA-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 269.362 g/mol
Solvent CD3OD
Source File Reference UWPA565