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(S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(2-METHYLTHIO-6-PHENYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
SpectraBase Compound ID JcXi4AIQyyx
InChI InChI=1S/C24H33N3O4S/c1-23(2,3)30-20(28)18(27-22(29)31-24(4,5)6)14-13-17-15-19(26-21(25-17)32-7)16-11-9-8-10-12-16/h8-12,15,18H,13-14H2,1-7H3,(H,27,29)/t18-/m1/s1
InChIKey ILEURGUBTBDSOD-GOSISDBHSA-N
Mol Weight 459.6 g/mol
Molecular Formula C24H33N3O4S
Exact Mass 459.219178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6cMGcv0qBv
Name (S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(2-METHYLTHIO-6-PHENYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H33N3O4S
InChI InChI=1S/C24H33N3O4S/c1-23(2,3)30-20(28)18(27-22(29)31-24(4,5)6)14-13-17-15-19(26-21(25-17)32-7)16-11-9-8-10-12-16/h8-12,15,18H,13-14H2,1-7H3,(H,27,29)/t18-/m1/s1
InChIKey ILEURGUBTBDSOD-GOSISDBHSA-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 459.604 g/mol
Solvent CDCl3
Source File Reference UWPA543