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P,P'-DI(CYANOETHYL)-P,P'-BIS(DEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE
SpectraBase Compound ID GFu8LjiBk6B
InChI InChI=1S/C26H34N6O15P2/c1-15-11-31(25(37)29-23(15)35)21-9-17(33)19(45-21)13-43-48(39,41-7-3-5-27)47-49(40,42-8-4-6-28)44-14-20-18(34)10-22(46-20)32-12-16(2)24(36)30-26(32)38/h11-12,17-22,33-34H,3-4,7-10,13-14H2,1-2H3,(H,29,35,37)(H,30,36,38)/t17-,18-,19+,20+,21+,22+,48?,49?/m0/s1
InChIKey YOAXZAXRTWHDJA-ULYKDJDTSA-N
Mol Weight 732.5 g/mol
Molecular Formula C26H34N6O15P2
Exact Mass 732.155738 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfCBcRPirA8
Name P,P'-DI(CYANOETHYL)-P,P'-BIS(DEOXYTHYMIDIN-5'-YL)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 C26H34N6O15P2
InChI InChI=1S/C26H34N6O15P2/c1-15-11-31(25(37)29-23(15)35)21-9-17(33)19(45-21)13-43-48(39,41-7-3-5-27)47-49(40,42-8-4-6-28)44-14-20-18(34)10-22(46-20)32-12-16(2)24(36)30-26(32)38/h11-12,17-22,33-34H,3-4,7-10,13-14H2,1-2H3,(H,29,35,37)(H,30,36,38)/t17-,18-,19+,20+,21+,22+,48?,49?/m0/s1
InChIKey YOAXZAXRTWHDJA-ULYKDJDTSA-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