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(S)-GAMMA-(2-METHYLTHIO-6-PHENYLPYRIMIDIN-4-YL)-ALPHA-AMINOBUTYRIC-ACID
SpectraBase Compound ID LEqyDn8YVJK
InChI InChI=1S/C15H17N3O2S/c1-21-15-17-11(7-8-12(16)14(19)20)9-13(18-15)10-5-3-2-4-6-10/h2-6,9,12H,7-8,16H2,1H3,(H,19,20)/t12-/m1/s1
InChIKey XNZDXDHALIPIAM-GFCCVEGCSA-N
Mol Weight 303.38 g/mol
Molecular Formula C15H17N3O2S
Exact Mass 303.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2meQ92EBAFs
Name (S)-GAMMA-(2-METHYLTHIO-6-PHENYLPYRIMIDIN-4-YL)-ALPHA-AMINOBUTYRIC-ACID
Compound Number 45
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17N3O2S
InChI InChI=1S/C15H17N3O2S/c1-21-15-17-11(7-8-12(16)14(19)20)9-13(18-15)10-5-3-2-4-6-10/h2-6,9,12H,7-8,16H2,1H3,(H,19,20)/t12-/m1/s1
InChIKey XNZDXDHALIPIAM-GFCCVEGCSA-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 303.379 g/mol
Solvent CD3OD
Source File Reference UWPA562