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9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-ADENINE
SpectraBase Compound ID LZSHW1t64Px
InChI InChI=1S/C12H16F2N5O9P3/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24)/t7-,8+/m0/s1
InChIKey QYSNJCSGAITOGQ-JGVFFNPUSA-N
Mol Weight 505.2 g/mol
Molecular Formula C12H16F2N5O9P3
Exact Mass 505.012894 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ls2NufFQLzw
Name 9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-ADENINE
Compound Number VIB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F2N5O9P3
InChI InChI=1S/C12H16F2N5O9P3/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24)/t7-,8+/m0/s1
InChIKey QYSNJCSGAITOGQ-JGVFFNPUSA-N
Literature Reference Author A.L.KHANDAZHINSKAYA,E.A.SHIROKOVA,Y.S.SKOBLOV,L.S.VICTOROVA, L.Y.GORYUNOVA,R.S.BE
Literature Reference Citation J.MED.CHEM.,45,1284(2002)
Literature Reference DOI 10.1021/jm011011l
Solvent D2O
Source File Reference UWLU64475