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(2S,8S)-2-HYDROXYMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM

View entire compound with spectra: 1 NMR

(2S,8S)-2-HYDROXYMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID EnrPmU0zpCv
InChI InChI=1S/C20H24N4O2.F6P/c25-13-18-8-10-24-9-7-17(22-20(24)23-18)12-21-19(26)16-6-5-14-3-1-2-4-15(14)11-16;1-7(2,3,4,5)6/h1-6,11,17-18,25H,7-10,12-13H2,(H,21,26)(H,22,23);/q;-1/p+1/t17-,18-;/m0./s1
InChIKey CXVVHWGPEQBDIV-APTPAJQOSA-O
Mol Weight 498.41 g/mol
Molecular Formula C20H25F6N4O2P
Exact Mass 498.161932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NkiaVO8V56
Name (2S,8S)-2-HYDROXYMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25F6N4O2P
InChI InChI=1S/C20H24N4O2.F6P/c25-13-18-8-10-24-9-7-17(22-20(24)23-18)12-21-19(26)16-6-5-14-3-1-2-4-15(14)11-16;1-7(2,3,4,5)6/h1-6,11,17-18,25H,7-10,12-13H2,(H,21,26)(H,22,23);/q;-1/p+1/t17-,18-;/m0./s1
InChIKey CXVVHWGPEQBDIV-APTPAJQOSA-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 498.408 g/mol
Sample ID 41734
Solvent ACETONE-D6