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D-(G+6PT);MAJOR-ISOMER
SpectraBase Compound ID 6uSVFCbWucZ
InChI InChI=1S/C19H28N7O12P/c1-7-4-25(18(31)23-15(7)29)12-2-8(28)11(37-12)6-35-39(33,34)38-9-3-13(36-10(9)5-27)26-14(22-17(20)21)16(30)24-19(26)32/h4,8-14,27-28H,2-3,5-6H2,1H3,(H,33,34)(H4,20,21,22)(H,23,29,31)(H,24,30,32)/p-1/t8-,9-,10+,11+,12+,13+,14?/m0/s1
InChIKey CXXSAEBWTHWWHM-MRYLVPEFSA-M
Mol Weight 576.44 g/mol
Molecular Formula C19H27N7O12P
Exact Mass 576.145531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLkBtBMYQPC
Name D-(G+6PT);MAJOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27N7O12P
InChI InChI=1S/C19H28N7O12P/c1-7-4-25(18(31)23-15(7)29)12-2-8(28)11(37-12)6-35-39(33,34)38-9-3-13(36-10(9)5-27)26-14(22-17(20)21)16(30)24-19(26)32/h4,8-14,27-28H,2-3,5-6H2,1H3,(H,33,34)(H4,20,21,22)(H,23,29,31)(H,24,30,32)/p-1/t8-,9-,10+,11+,12+,13+,14?/m0/s1
InChIKey CXXSAEBWTHWWHM-MRYLVPEFSA-M
Literature Reference Author A.CHWOROS,Y.COPPEL,I.DUBEY,G.PRATVIEL,B.MEUNIER
Literature Reference Citation J.AM.CHEM.SOC.,123,5867(2001)
Literature Reference DOI 10.1021/ja003945p
Molecular Weight 576.437 g/mol
Solvent DMSO-D6
Source File Reference UWVN28146