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BIS(N-ANISOYLDEOXYCYTIDIN-5'-YL)BIS(CYANOETHYL)PYROPHOSPHATE
SpectraBase Compound ID AmyWU2LUTz6
InChI InChI=1S/C40H44N8O17P2/c1-57-27-9-5-25(6-10-27)37(51)43-33-13-17-47(39(53)45-33)35-21-29(49)31(63-35)23-61-66(55,59-19-3-15-41)65-67(56,60-20-4-16-42)62-24-32-30(50)22-36(64-32)48-18-14-34(46-40(48)54)44-38(52)26-7-11-28(58-2)12-8-26/h5-14,17-18,29-32,35-36,49-50H,3-4,19-24H2,1-2H3,(H,43,45,51,53)(H,44,46,52,54)/t29-,30-,31+,32+,35+,36+,66?,67?/m0/s1
InChIKey OQIGMNIBLBLWBX-MZEUSJETSA-N
Mol Weight 970.8 g/mol
Molecular Formula C40H44N8O17P2
Exact Mass 970.229966 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5shXKBey0gi
Name BIS(N-ANISOYLDEOXYCYTIDIN-5'-YL)BIS(CYANOETHYL)PYROPHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H44N8O17P2
InChI InChI=1S/C40H44N8O17P2/c1-57-27-9-5-25(6-10-27)37(51)43-33-13-17-47(39(53)45-33)35-21-29(49)31(63-35)23-61-66(55,59-19-3-15-41)65-67(56,60-20-4-16-42)62-24-32-30(50)22-36(64-32)48-18-14-34(46-40(48)54)44-38(52)26-7-11-28(58-2)12-8-26/h5-14,17-18,29-32,35-36,49-50H,3-4,19-24H2,1-2H3,(H,43,45,51,53)(H,44,46,52,54)/t29-,30-,31+,32+,35+,36+,66?,67?/m0/s1
InChIKey OQIGMNIBLBLWBX-MZEUSJETSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine