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(2S,8S)-2-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-8-METHANESULFONYLOXYMETHYL-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM

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(2S,8S)-2-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-8-METHANESULFONYLOXYMETHYL-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID 2gEWiyDTl8r
InChI InChI=1S/C26H37N3O4SSi.F6P/c1-26(2,3)35(23-11-7-5-8-12-23,24-13-9-6-10-14-24)33-20-22-16-18-29-17-15-21(27-25(29)28-22)19-32-34(4,30)31;1-7(2,3,4,5)6/h5-14,21-22H,15-20H2,1-4H3,(H,27,28);/q;-1/p+1/t21-,22-;/m0./s1
InChIKey AJLFHKOEZWKFOY-VROPFNGYSA-O
Mol Weight 661.7 g/mol
Molecular Formula C26H38F6N3O4PSSi
Exact Mass 661.19941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AoQIbKqUbAz
Name (2S,8S)-2-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-8-METHANESULFONYLOXYMETHYL-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38F6N3O4PSSi
InChI InChI=1S/C26H37N3O4SSi.F6P/c1-26(2,3)35(23-11-7-5-8-12-23,24-13-9-6-10-14-24)33-20-22-16-18-29-17-15-21(27-25(29)28-22)19-32-34(4,30)31;1-7(2,3,4,5)6/h5-14,21-22H,15-20H2,1-4H3,(H,27,28);/q;-1/p+1/t21-,22-;/m0./s1
InChIKey AJLFHKOEZWKFOY-VROPFNGYSA-O
Literature Reference Author P.BRECCIA,M.V.GOOL,R.PEREZ-FERNANDEZ,S.MARTIN-SANTAMARIA,F.G AGO,P.PRADOS,J.D.MEN
Literature Reference Citation J.AM.CHEM.SOC.,125,8270(2003)
Literature Reference DOI 10.1021/ja026860s
Molecular Weight 661.715 g/mol
Sample ID 41731
Solvent CDCl3