![5'-C-[1-(4-METHYL-BENZYL)-4-METHYL-1H-1,2,3-TRIAZOL-4-YL]-THYMIDINE](/api/spectrum/FR1e456uJxS/structure.png?h=300&w=458 "5'-C-[1-(4-METHYL-BENZYL)-4-METHYL-1H-1,2,3-TRIAZOL-4-YL]-THYMIDINE")
| SpectraBase Compound ID | 20B16kMiwh0 |
|---|---|
| InChI | InChI=1S/2C21H25N5O5/c2*1-12-3-5-14(6-4-12)10-25-11-15(23-24-25)7-16(27)19-17(28)8-18(31-19)26-9-13(2)20(29)22-21(26)30/h2*3-6,9,11,16-19,27-28H,7-8,10H2,1-2H3,(H,22,29,30)/t16-,17+,18-,19-;16-,17-,18+,19+/m10/s1 |
| InChIKey | FWRZCLBOKJSFBI-OUBPHXGASA-N |
| Mol Weight | 854.92 g/mol |
| Molecular Formula | C42H50N10O10 |
| Exact Mass | 854.371138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FR1e456uJxS |
|---|---|
| Name | 5'-C-[1-(4-METHYL-BENZYL)-4-METHYL-1H-1,2,3-TRIAZOL-4-YL]-THYMIDINE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H50N10O10 |
| InChI | InChI=1S/2C21H25N5O5/c2*1-12-3-5-14(6-4-12)10-25-11-15(23-24-25)7-16(27)19-17(28)8-18(31-19)26-9-13(2)20(29)22-21(26)30/h2*3-6,9,11,16-19,27-28H,7-8,10H2,1-2H3,(H,22,29,30)/t16-,17+,18-,19-;16-,17-,18+,19+/m10/s1 |
| InChIKey | FWRZCLBOKJSFBI-OUBPHXGASA-N |
| Literature Reference Author | D.JAMES,J.M.ESCUDIER,M.SZLOSEK-PINAUD,E.FOUQUET |
| Literature Reference Citation | MOLECULES,18,13654(2013) |
| Literature Reference DOI | 10.3390/molecules181113654 |
| Molecular Weight | 854.920 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9880 |