| SpectraBase Compound ID | IdlAoLeBWpI |
|---|---|
| InChI | InChI=1S/C40H40N12O13P2/c41-13-7-15-59-66(57,61-19-29-27(53)17-31(63-29)51-23-47-33-35(43-21-45-37(33)51)49-39(55)25-9-3-1-4-10-25)65-67(58,60-16-8-14-42)62-20-30-28(54)18-32(64-30)52-24-48-34-36(44-22-46-38(34)52)50-40(56)26-11-5-2-6-12-26/h1-6,9-12,21-24,27-32,53-54H,7-8,15-20H2,(H,43,45,49,55)(H,44,46,50,56)/t27-,28-,29+,30+,31+,32+,66?,67?/m0/s1 |
| InChIKey | WMANIZOHLZWMJZ-QEAPWAESSA-N |
| Mol Weight | 958.8 g/mol |
| Molecular Formula | C40H40N12O13P2 |
| Exact Mass | 958.231303 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPE73O0hld2 |
|---|---|
| Name | P,P'-DI(CYANOETHYL)-P,P'-BIS(N-BENZOYLDEOXYADENOSIN-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 | C40H40N12O13P2 |
| InChI | InChI=1S/C40H40N12O13P2/c41-13-7-15-59-66(57,61-19-29-27(53)17-31(63-29)51-23-47-33-35(43-21-45-37(33)51)49-39(55)25-9-3-1-4-10-25)65-67(58,60-16-8-14-42)62-20-30-28(54)18-32(64-30)52-24-48-34-36(44-22-46-38(34)52)50-40(56)26-11-5-2-6-12-26/h1-6,9-12,21-24,27-32,53-54H,7-8,15-20H2,(H,43,45,49,55)(H,44,46,50,56)/t27-,28-,29+,30+,31+,32+,66?,67?/m0/s1 |
| InChIKey | WMANIZOHLZWMJZ-QEAPWAESSA-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 |