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(S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(6-PHENYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
SpectraBase Compound ID CJEd73i3QTZ
InChI InChI=1S/C23H31N3O4/c1-22(2,3)29-20(27)18(26-21(28)30-23(4,5)6)13-12-17-14-19(25-15-24-17)16-10-8-7-9-11-16/h7-11,14-15,18H,12-13H2,1-6H3,(H,26,28)/t18-/m1/s1
InChIKey SMJRKNANZLGHDA-GOSISDBHSA-N
Mol Weight 413.52 g/mol
Molecular Formula C23H31N3O4
Exact Mass 413.231456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1MbLBEWtR8
Name (S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(6-PHENYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31N3O4
InChI InChI=1S/C23H31N3O4/c1-22(2,3)29-20(27)18(26-21(28)30-23(4,5)6)13-12-17-14-19(25-15-24-17)16-10-8-7-9-11-16/h7-11,14-15,18H,12-13H2,1-6H3,(H,26,28)/t18-/m1/s1
InChIKey SMJRKNANZLGHDA-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 413.517 g/mol
Solvent CDCl3
Source File Reference UWPA542