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(2S,8S)-2-AMINOMETHYL-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-AMINOMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID 1KRUatF4G9J
InChI InChI=1S/C20H25N5O.F6P/c21-12-17-7-9-25-10-8-18(24-20(25)23-17)13-22-19(26)16-6-5-14-3-1-2-4-15(14)11-16;1-7(2,3,4,5)6/h1-6,11,17-18H,7-10,12-13,21H2,(H,22,26)(H,23,24);/q;-1/p+1/t17-,18-;/m0./s1
InChIKey UCMJKDTVRLIZFO-APTPAJQOSA-O
Mol Weight 497.43 g/mol
Molecular Formula C20H26F6N5OP
Exact Mass 497.177916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3D6Y3DnXNAe
Name (2S,8S)-2-AMINOMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26F6N5OP
InChI InChI=1S/C20H25N5O.F6P/c21-12-17-7-9-25-10-8-18(24-20(25)23-17)13-22-19(26)16-6-5-14-3-1-2-4-15(14)11-16;1-7(2,3,4,5)6/h1-6,11,17-18H,7-10,12-13,21H2,(H,22,26)(H,23,24);/q;-1/p+1/t17-,18-;/m0./s1
InChIKey UCMJKDTVRLIZFO-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 497.424 g/mol
Sample ID 41736
Solvent CDCl3