![THYMIDINE-5'-BIS-[3-ACETYLOXY-2-CYANO-2-(2-PHENYLETHYLCARBAMOYL)-PROPYL]-PHOSPHATE](/api/spectrum/59EVvNzwEZk/structure.png?h=300&w=458 "THYMIDINE-5'-BIS-[3-ACETYLOXY-2-CYANO-2-(2-PHENYLETHYLCARBAMOYL)-PROPYL]-PHOSPHATE")
| SpectraBase Compound ID | DwaOeGg8Biv |
|---|---|
| InChI | InChI=1S/C40H47N6O14P/c1-27-19-46(38(53)45-35(27)50)34-18-32(49)33(60-34)20-57-61(54,58-25-39(21-41,23-55-28(2)47)36(51)43-16-14-30-10-6-4-7-11-30)59-26-40(22-42,24-56-29(3)48)37(52)44-17-15-31-12-8-5-9-13-31/h4-13,19,32-34,49H,14-18,20,23-26H2,1-3H3,(H,43,51)(H,44,52)(H,45,50,53)/t32-,33+,34+,39?,40?,61?/m0/s1 |
| InChIKey | MKAIMLXXJZMHAC-RRZIEZKASA-N |
| Mol Weight | 866.8 g/mol |
| Molecular Formula | C40H47N6O14P |
| Exact Mass | 866.288787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59EVvNzwEZk |
|---|---|
| Name | THYMIDINE-5'-BIS-[3-ACETYLOXY-2-CYANO-2-(2-PHENYLETHYLCARBAMOYL)-PROPYL]-PHOSPHATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H47N6O14P |
| InChI | InChI=1S/C40H47N6O14P/c1-27-19-46(38(53)45-35(27)50)34-18-32(49)33(60-34)20-57-61(54,58-25-39(21-41,23-55-28(2)47)36(51)43-16-14-30-10-6-4-7-11-30)59-26-40(22-42,24-56-29(3)48)37(52)44-17-15-31-12-8-5-9-13-31/h4-13,19,32-34,49H,14-18,20,23-26H2,1-3H3,(H,43,51)(H,44,52)(H,45,50,53)/t32-,33+,34+,39?,40?,61?/m0/s1 |
| InChIKey | MKAIMLXXJZMHAC-RRZIEZKASA-N |
| Literature Reference Author | M.ORA,A.MANTYVAARA,H.LOENNBERG |
| Literature Reference Citation | MOLECULES,16,552(2011) |
| Literature Reference DOI | 10.3390/molecules16010552 |
| Molecular Weight | 866.819 g/mol |
| Sample ID | 72846 |
| Solvent | CDCl3 |