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(S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(2-METHYLSULFONYL-6-PROPYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
SpectraBase Compound ID Ces1Q9EW851
InChI InChI=1S/C21H35N3O6S/c1-9-10-14-13-15(23-18(22-14)31(8,27)28)11-12-16(17(25)29-20(2,3)4)24-19(26)30-21(5,6)7/h13,16H,9-12H2,1-8H3,(H,24,26)/t16-/m1/s1
InChIKey NZCCNXAMZUVZLN-MRXNPFEDSA-N
Mol Weight 457.6 g/mol
Molecular Formula C21H35N3O6S
Exact Mass 457.224657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnmVjj6xnGg
Name (S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(2-METHYLSULFONYL-6-PROPYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H35N3O6S
InChI InChI=1S/C21H35N3O6S/c1-9-10-14-13-15(23-18(22-14)31(8,27)28)11-12-16(17(25)29-20(2,3)4)24-19(26)30-21(5,6)7/h13,16H,9-12H2,1-8H3,(H,24,26)/t16-/m1/s1
InChIKey NZCCNXAMZUVZLN-MRXNPFEDSA-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 457.585 g/mol
Solvent CDCl3
Source File Reference UWPA552