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

View entire compound with spectra: 1 NMR

(2S,8S)-8-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-2-(CARBOXYMETHYLSULFANYLMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID JMoJiflhkpZ
InChI InChI=1S/C27H37N3O3SSi.ClH/c1-27(2,3)35(23-10-6-4-7-11-23,24-12-8-5-9-13-24)33-18-21-14-16-30-17-15-22(29-26(30)28-21)19-34-20-25(31)32;/h4-13,21-22H,14-20H2,1-3H3,(H,28,29)(H,31,32);1H/t21-,22-;/m0./s1
InChIKey NTUURNVIURRHPT-VROPFNGYSA-N
Mol Weight 548.2 g/mol
Molecular Formula C27H38ClN3O3SSi
Exact Mass 547.209168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CujFRjfJL3C
Name (2S,8S)-8-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-2-(CARBOXYMETHYLSULFANYLMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38ClN3O3SSi
InChI InChI=1S/C27H37N3O3SSi.ClH/c1-27(2,3)35(23-10-6-4-7-11-23,24-12-8-5-9-13-24)33-18-21-14-16-30-17-15-22(29-26(30)28-21)19-34-20-25(31)32;/h4-13,21-22H,14-20H2,1-3H3,(H,28,29)(H,31,32);1H/t21-,22-;/m0./s1
InChIKey NTUURNVIURRHPT-VROPFNGYSA-N
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 548.216 g/mol
Sample ID 41743
Solvent CDCl3