John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4wamBU2cgQp SpectraBase Spectrum ID=1iDHHFb85H9

(accessed ).
(2S,8S)-8-[(2-BROMOACETYLAMINO)-METHYL]-2-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID 4wamBU2cgQp
InChI InChI=1S/C27H37BrN4O2Si.F6P/c1-27(2,3)35(23-10-6-4-7-11-23,24-12-8-5-9-13-24)34-20-22-15-17-32-16-14-21(30-26(32)31-22)19-29-25(33)18-28;1-7(2,3,4,5)6/h4-13,21-22H,14-20H2,1-3H3,(H,29,33)(H,30,31);/q;-1/p+1/t21-,22-;/m0./s1
InChIKey HHNABSSEZBTDBN-VROPFNGYSA-O
Mol Weight 703.6 g/mol
Molecular Formula C27H38BrF6N4O2PSi
Exact Mass 702.158924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iDHHFb85H9
Name (2S,8S)-8-[(2-BROMOACETYLAMINO)-METHYL]-2-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 21
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38BrF6N4O2PSi
InChI InChI=1S/C27H37BrN4O2Si.F6P/c1-27(2,3)35(23-10-6-4-7-11-23,24-12-8-5-9-13-24)34-20-22-15-17-32-16-14-21(30-26(32)31-22)19-29-25(33)18-28;1-7(2,3,4,5)6/h4-13,21-22H,14-20H2,1-3H3,(H,29,33)(H,30,31);/q;-1/p+1/t21-,22-;/m0./s1
InChIKey HHNABSSEZBTDBN-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 703.578 g/mol
Sample ID 41739
Solvent ACETONE-D6
SpectraBase Batch ID 1RPl55fCzww