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(2S,8S)-2-HYDROXYMETHYL-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID EwNjKAxaIl2
InChI InChI=1S/C20H23N3O3.ClH/c24-12-17-7-9-23-10-8-18(22-20(23)21-17)13-26-19(25)16-6-5-14-3-1-2-4-15(14)11-16;/h1-6,11,17-18,24H,7-10,12-13H2,(H,21,22);1H/t17-,18-;/m0./s1
InChIKey YAJSIPZCFWRUNI-APTPAJQOSA-N
Mol Weight 389.88 g/mol
Molecular Formula C20H24ClN3O3
Exact Mass 389.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2HZQOeQT6y
Name (2S,8S)-2-HYDROXYMETHYL-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24ClN3O3
InChI InChI=1S/C20H23N3O3.ClH/c24-12-17-7-9-23-10-8-18(22-20(23)21-17)13-26-19(25)16-6-5-14-3-1-2-4-15(14)11-16;/h1-6,11,17-18,24H,7-10,12-13H2,(H,21,22);1H/t17-,18-;/m0./s1
InChIKey YAJSIPZCFWRUNI-APTPAJQOSA-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 389.882 g/mol
Sample ID 41724
Solvent CDCl3