| SpectraBase Compound ID | LZSIyoVfIXy |
|---|---|
| InChI | InChI=1S/C36H38N6O21P2/c1-19-15-39(35(47)37-33(19)45)31-13-27(57-21(3)43)29(59-31)17-55-64(53,61-25-9-5-23(6-10-25)41(49)50)63-65(54,62-26-11-7-24(8-12-26)42(51)52)56-18-30-28(58-22(4)44)14-32(60-30)40-16-20(2)34(46)38-36(40)48/h5-12,15-16,27-32H,13-14,17-18H2,1-4H3,(H,37,45,47)(H,38,46,48)/t27-,28-,29+,30+,31+,32+,64?,65?/m0/s1 |
| InChIKey | KRNWYFUUVMMMHI-UPYDCGFXSA-N |
| Mol Weight | 952.7 g/mol |
| Molecular Formula | C36H38N6O21P2 |
| Exact Mass | 952.156526 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQpRMCoeoDw |
|---|---|
| Name | P,P'-DI(4-NITROPHENYL)-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE (DIASTEREOMER MIXTURE) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H38N6O21P2 |
| InChI | InChI=1S/C36H38N6O21P2/c1-19-15-39(35(47)37-33(19)45)31-13-27(57-21(3)43)29(59-31)17-55-64(53,61-25-9-5-23(6-10-25)41(49)50)63-65(54,62-26-11-7-24(8-12-26)42(51)52)56-18-30-28(58-22(4)44)14-32(60-30)40-16-20(2)34(46)38-36(40)48/h5-12,15-16,27-32H,13-14,17-18H2,1-4H3,(H,37,45,47)(H,38,46,48)/t27-,28-,29+,30+,31+,32+,64?,65?/m0/s1 |
| InChIKey | KRNWYFUUVMMMHI-UPYDCGFXSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (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 |