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1-(BETA-D-RIBOFURANOSYL)-(1H)-1,2,3-TRIAZOLE-4-CARBOXAMIDE-5'-DIPHOSPHATE
SpectraBase Compound ID IRPNTMC41Wx
InChI InChI=1S/C8H14N4O11P2/c9-7(15)3-1-12(11-10-3)8-6(14)5(13)4(22-8)2-21-25(19,20)23-24(16,17)18/h1,4-6,8,13-14H,2H2,(H2,9,15)(H,19,20)(H2,16,17,18)/p-3/t4-,5-,6-,8-/m1/s1
InChIKey MXNRPEGBFYIXKS-UAKXSSHOSA-K
Mol Weight 401.14 g/mol
Molecular Formula C8H11N4O11P2
Exact Mass 400.989956 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wo3yJhPnKW
Name 1-(BETA-D-RIBOFURANOSYL)-(1H)-1,2,3-TRIAZOLE-4-CARBOXAMIDE-5'-DIPHOSPHATE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11N4O11P2
InChI InChI=1S/C8H14N4O11P2/c9-7(15)3-1-12(11-10-3)8-6(14)5(13)4(22-8)2-21-25(19,20)23-24(16,17)18/h1,4-6,8,13-14H,2H2,(H2,9,15)(H,19,20)(H2,16,17,18)/p-3/t4-,5-,6-,8-/m1/s1
InChIKey MXNRPEGBFYIXKS-UAKXSSHOSA-K
Literature Reference Author W.WU,D.E.BREGSTROM,V.J.DAVISSON
Literature Reference Citation J.ORG.CHEM.,68,3860(2003)
Literature Reference DOI 10.1021/jo020745i
Solvent D2O
Source File Reference UWLU23212