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(S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-BETA-(2-METHYLTHIO-6-PHENYLPYRIMIDIN-4-YL)-PROPANOIC-ACID-ALPHA-TERT.-BUTYLESTER
SpectraBase Compound ID 1DcHEJAnrNy
InChI InChI=1S/C23H31N3O4S/c1-22(2,3)29-19(27)18(26-21(28)30-23(4,5)6)14-16-13-17(25-20(24-16)31-7)15-11-9-8-10-12-15/h8-13,18H,14H2,1-7H3,(H,26,28)/t18-/m0/s1
InChIKey KRYZDAFGPCUBRJ-SFHVURJKSA-N
Mol Weight 445.58 g/mol
Molecular Formula C23H31N3O4S
Exact Mass 445.203528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5hV2yEIPX4A
Name (S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-BETA-(2-METHYLTHIO-6-PHENYLPYRIMIDIN-4-YL)-PROPANOIC-ACID-ALPHA-TERT.-BUTYLESTER
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31N3O4S
InChI InChI=1S/C23H31N3O4S/c1-22(2,3)29-19(27)18(26-21(28)30-23(4,5)6)14-16-13-17(25-20(24-16)31-7)15-11-9-8-10-12-15/h8-13,18H,14H2,1-7H3,(H,26,28)/t18-/m0/s1
InChIKey KRYZDAFGPCUBRJ-SFHVURJKSA-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 445.577 g/mol
Solvent CDCl3
Source File Reference UWPA548