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

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(2S,8S)-2-BROMOACETYLAMINOMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID 6d1Wnk7ymJi
InChI InChI=1S/2C22H26BrN5O2.2F6P/c2*23-12-20(29)24-13-18-7-9-28-10-8-19(27-22(28)26-18)14-25-21(30)17-6-5-15-3-1-2-4-16(15)11-17;2*1-7(2,3,4,5)6/h2*1-6,11,18-19H,7-10,12-14H2,(H,24,29)(H,25,30)(H,26,27);;/q;;2*-1/p+2/t2*18-,19-;;/m00../s1
InChIKey LXKLTOKAWHSZRX-RZEGRGNNSA-P
Mol Weight 1236.71836196 g/mol
Molecular Formula C44H54Br2F12N10O4P2
Exact Mass 1234.197988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KU60Hdm4RPQ
Name (2S,8S)-2-BROMOACETYLAMINOMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H54Br2F12N10O4P2
InChI InChI=1S/2C22H26BrN5O2.2F6P/c2*23-12-20(29)24-13-18-7-9-28-10-8-19(27-22(28)26-18)14-25-21(30)17-6-5-15-3-1-2-4-16(15)11-17;2*1-7(2,3,4,5)6/h2*1-6,11,18-19H,7-10,12-14H2,(H,24,29)(H,25,30)(H,26,27);;/q;;2*-1/p+2/t2*18-,19-;;/m00../s1
InChIKey LXKLTOKAWHSZRX-RZEGRGNNSA-P
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 1236.714 g/mol
Sample ID 41737
Solvent CDCl3