![3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-THYMIDINE](/api/spectrum/JdTmzGUBrAG/structure.png?h=300&w=458 "3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-THYMIDINE")
| SpectraBase Compound ID | 41HKmOcotVX |
|---|---|
| InChI | InChI=1S/2C40H49N4O6P/c2*1-28(2)44(29(3)4)51(49-23-13-22-41)27-31-24-37(43-25-30(5)38(45)42-39(43)46)50-36(31)26-48-40(32-14-9-7-10-15-32,33-16-11-8-12-17-33)34-18-20-35(47-6)21-19-34/h2*7-12,14-21,25,28-29,31,36-37H,13,23-24,26-27H2,1-6H3,(H,42,45,46)/t2*31-,36-,37-,51?/m00/s1 |
| InChIKey | NLHYMFWHQHHAAG-KAWYCJAYSA-N |
| Mol Weight | 1425.7 g/mol |
| Molecular Formula | C80H98N8O12P2 |
| Exact Mass | 1424.677945 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JdTmzGUBrAG |
|---|---|
| Name | 3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-THYMIDINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H98N8O12P2 |
| InChI | InChI=1S/2C40H49N4O6P/c2*1-28(2)44(29(3)4)51(49-23-13-22-41)27-31-24-37(43-25-30(5)38(45)42-39(43)46)50-36(31)26-48-40(32-14-9-7-10-15-32,33-16-11-8-12-17-33)34-18-20-35(47-6)21-19-34/h2*7-12,14-21,25,28-29,31,36-37H,13,23-24,26-27H2,1-6H3,(H,42,45,46)/t2*31-,36-,37-,51?/m00/s1 |
| InChIKey | NLHYMFWHQHHAAG-KAWYCJAYSA-N |
| Literature Reference Author | H.AN,T.WANG,M.A.MAIER,M.MANOHARAN,B.S.ROSS,P.D.COOK |
| Literature Reference Citation | J.ORG.CHEM.,66,2789(2001) |
| Literature Reference DOI | 10.1021/jo001699u |
| Solvent | CDCl3 |
| Source File Reference | UWLU26697 |