| SpectraBase Compound ID | BoiJCkilCSA |
|---|---|
| InChI | InChI=1S/C22H30N4O16P2.2C6H15N/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31;2*1-4-7(5-2)6-3/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34);2*4-6H2,1-3H3/t13-,14-,15+,16+,17+,18+;;/m0../s1 |
| InChIKey | CEHULHRTNJOCAS-GNZMVSIHSA-N |
| Mol Weight | 870.83 g/mol |
| Molecular Formula | C34H60N6O16P2 |
| Exact Mass | 870.354104 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HWe5XZiTqI |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-PHOSPHORYLDEOXYTHYMID-3-YLOXYPHOSPHORYL)DEOXYTHYMIDINE, BIS(TRIETHYLAMMONIUM SALT) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H60N6O16P2 |
| InChI | InChI=1S/C22H30N4O16P2.2C6H15N/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31;2*1-4-7(5-2)6-3/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34);2*4-6H2,1-3H3/t13-,14-,15+,16+,17+,18+;;/m0../s1 |
| InChIKey | CEHULHRTNJOCAS-GNZMVSIHSA-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 |