| SpectraBase Compound ID | LmC0ITUShAx |
|---|---|
| InChI | InChI=1S/2C20H23N5O5/c2*1-12-9-25(20(29)21-19(12)28)17-8-16(27)18(30-17)15(26)7-14-11-24(23-22-14)10-13-5-3-2-4-6-13/h2*2-6,9,11,15-18,26-27H,7-8,10H2,1H3,(H,21,28,29)/t15-,16+,17-,18-;15-,16-,17+,18+/m10/s1 |
| InChIKey | PMGWQQTZLKSYMB-SELYVUHWSA-N |
| Mol Weight | 826.87 g/mol |
| Molecular Formula | C40H46N10O10 |
| Exact Mass | 826.339838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uRVdUZknCi |
|---|---|
| Name | 5'-C-(1-BENZYL-4-METHYL-1H-1,2,3-TRIAZOL-4-YL)-THYMIDINE |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46N10O10 |
| InChI | InChI=1S/2C20H23N5O5/c2*1-12-9-25(20(29)21-19(12)28)17-8-16(27)18(30-17)15(26)7-14-11-24(23-22-14)10-13-5-3-2-4-6-13/h2*2-6,9,11,15-18,26-27H,7-8,10H2,1H3,(H,21,28,29)/t15-,16+,17-,18-;15-,16-,17+,18+/m10/s1 |
| InChIKey | PMGWQQTZLKSYMB-SELYVUHWSA-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 | 826.866 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR9881 |