| SpectraBase Compound ID | A6NGkVxMGwc |
|---|---|
| InChI | InChI=1S/C27H35N4O11P/c1-19-16-31(26(34)30-25(19)33)23-15-21(22(41-23)18-40-43(36,37)39-14-8-12-28)42-24(32)11-6-3-7-13-29-27(35)38-17-20-9-4-2-5-10-20/h2,4-5,9-10,16,21-23H,3,6-8,11,13-15,17-18H2,1H3,(H,29,35)(H,36,37)(H,30,33,34)/t21-,22+,23+/m1/s1 |
| InChIKey | WNFFSXWHWLLQHW-VJBWXMMDSA-N |
| Mol Weight | 622.6 g/mol |
| Molecular Formula | C27H35N4O11P |
| Exact Mass | 622.203995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bh4diCU0vYu |
|---|---|
| Name | 3'-O-THYMIDIN-5'-YL-beta-CYANOETHYL-HYDROGEN-PHOSPHATE |
| Compound Number | 4 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C27H35N4O11P/c1-19-16-31(26(34)30-25(19)33)23-15-21(22(41-23)18-40-43(36,37)39-14-8-12-28)42-24(32)11-6-3-7-13-29-27(35)38-17-20-9-4-2-5-10-20/h2,4-5,9-10,16,21-23H,3,6-8,11,13-15,17-18H2,1H3,(H,29,35)(H,36,37)(H,30,33,34)/t21-,22+,23+/m1/s1 |
| InChIKey | WNFFSXWHWLLQHW-VJBWXMMDSA-N |
| Literature Reference | R.S.SARFATI,T.BERTHOD,C.GUERREIRO,B.CANARD J.CHEM.SOC.PERKIN-1,1163(1995) |
| Solvent | Deuterium oxide |