| SpectraBase Compound ID | 48BfLlSJs95 |
|---|---|
| InChI | InChI=1S/C74H70Cl2N4O19P2/c1-47-43-79(71(83)77-69(47)81)67-41-63(65(93-67)45-91-73(49-13-9-7-10-14-49,51-17-29-57(87-3)30-18-51)52-19-31-58(88-4)32-20-52)97-100(85,95-61-37-25-55(75)26-38-61)99-101(86,96-62-39-27-56(76)28-40-62)98-64-42-68(80-44-48(2)70(82)78-72(80)84)94-66(64)46-92-74(50-15-11-8-12-16-50,53-21-33-59(89-5)34-22-53)54-23-35-60(90-6)36-24-54/h7-40,43-44,63-68H,41-42,45-46H2,1-6H3,(H,77,81,83)(H,78,82,84)/t63-,64-,65+,66+,67+,68+,100?,101?/m0/s1 |
| InChIKey | HQFJQOJWNYRZJB-OPZTZISKSA-N |
| Mol Weight | 1452.2 g/mol |
| Molecular Formula | C74H70Cl2N4O19P2 |
| Exact Mass | 1450.348655 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FE8VYkrOQOD |
|---|---|
| Name | P,P'-DI(4-CHLOROPHENYL)-P,P'-BIS(5'-O-DIMETHOXYTRITYLDEOXYTHYMIDIN-3'-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 | C74H70Cl2N4O19P2 |
| InChI | InChI=1S/C74H70Cl2N4O19P2/c1-47-43-79(71(83)77-69(47)81)67-41-63(65(93-67)45-91-73(49-13-9-7-10-14-49,51-17-29-57(87-3)30-18-51)52-19-31-58(88-4)32-20-52)97-100(85,95-61-37-25-55(75)26-38-61)99-101(86,96-62-39-27-56(76)28-40-62)98-64-42-68(80-44-48(2)70(82)78-72(80)84)94-66(64)46-92-74(50-15-11-8-12-16-50,53-21-33-59(89-5)34-22-53)54-23-35-60(90-6)36-24-54/h7-40,43-44,63-68H,41-42,45-46H2,1-6H3,(H,77,81,83)(H,78,82,84)/t63-,64-,65+,66+,67+,68+,100?,101?/m0/s1 |
| InChIKey | HQFJQOJWNYRZJB-OPZTZISKSA-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 |