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9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-GUANINE
SpectraBase Compound ID HY7M303vKMf
InChI InChI=1S/C12H16F2N5O10P3/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20)/t6-,7+/m0/s1
InChIKey KKHRRYOJOJNVLH-NKWVEPMBSA-N
Mol Weight 521.2 g/mol
Molecular Formula C12H16F2N5O10P3
Exact Mass 521.007809 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LM6EmYROAvk
Name 9-[4-(DIFLUOROMETHYLDIPHOSPHONYL)-OXYPHOSPHONYLMETHOXY)-CYCLOPENT-2-ENYL]-GUANINE
Compound Number VB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F2N5O10P3
InChI InChI=1S/C12H16F2N5O10P3/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20)/t6-,7+/m0/s1
InChIKey KKHRRYOJOJNVLH-NKWVEPMBSA-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 UWLU64469