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(2S,8S)-2-METHANESULFONYLOXYMETHYL-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-METHANESULFONYLOXYMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID CmSRuADydUs
InChI InChI=1S/C21H26N4O4S.F6P/c1-30(27,28)29-14-19-9-11-25-10-8-18(23-21(25)24-19)13-22-20(26)17-7-6-15-4-2-3-5-16(15)12-17;1-7(2,3,4,5)6/h2-7,12,18-19H,8-11,13-14H2,1H3,(H,22,26)(H,23,24);/q;-1/p+1/t18-,19-;/m0./s1
InChIKey KVSDRRSBJBEWOZ-HLRBRJAUSA-O
Mol Weight 576.5 g/mol
Molecular Formula C21H27F6N4O4PS
Exact Mass 576.139483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jfcNCjE6BS
Name (2S,8S)-2-METHANESULFONYLOXYMETHYL-8-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27F6N4O4PS
InChI InChI=1S/C21H26N4O4S.F6P/c1-30(27,28)29-14-19-9-11-25-10-8-18(23-21(25)24-19)13-22-20(26)17-7-6-15-4-2-3-5-16(15)12-17;1-7(2,3,4,5)6/h2-7,12,18-19H,8-11,13-14H2,1H3,(H,22,26)(H,23,24);/q;-1/p+1/t18-,19-;/m0./s1
InChIKey KVSDRRSBJBEWOZ-HLRBRJAUSA-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 576.494 g/mol
Sample ID 41735
Solvent ACETONE-D6