| SpectraBase Compound ID | 8xak4kl64Tf |
|---|---|
| InChI | InChI=1S/2C34H36N3O10P/c2*1-23-21-37(33(39)36-32(23)38)31-20-29(47-48(40,41)45-19-7-18-35)30(46-31)22-44-34(24-8-5-4-6-9-24,25-10-14-27(42-2)15-11-25)26-12-16-28(43-3)17-13-26/h2*4-6,8-17,21,29-31H,7,19-20,22H2,1-3H3,(H,40,41)(H,36,38,39)/t2*29-,30+,31+/m00/s1 |
| InChIKey | JGUIPBHIJSWBDY-LTHCDSNASA-N |
| Mol Weight | 1355.3 g/mol |
| Molecular Formula | C68H72N6O20P2 |
| Exact Mass | 1354.427663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZPTdJvdcqP |
|---|---|
| Name | 2-CYANOETHYL-5'-O-(4,4'-DIMETHOXYTRITYL)-THYMIDINE-3'-YL-PHOSPHATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H70N6O20P2 |
| InChI | InChI=1S/2C34H36N3O10P/c2*1-23-21-37(33(39)36-32(23)38)31-20-29(47-48(40,41)45-19-7-18-35)30(46-31)22-44-34(24-8-5-4-6-9-24,25-10-14-27(42-2)15-11-25)26-12-16-28(43-3)17-13-26/h2*4-6,8-17,21,29-31H,7,19-20,22H2,1-3H3,(H,40,41)(H,36,38,39)/t2*29-,30+,31+/m00/s1 |
| InChIKey | JGUIPBHIJSWBDY-LTHCDSNASA-N |
| Literature Reference Author | M.SEKINE,A.OHKUBO,K.SEIO |
| Literature Reference Citation | J.ORG.CHEM.,68,5478(2003) |
| Literature Reference DOI | 10.1021/jo034204k |
| Molecular Weight | 1353.280 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25338 |