![5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-(N,N-DIETHYLAMINO)-[3-(N-TERT.-BUTYLCARBOXAMIDO)-BUTYLOXY]-PHOSPHINYL-2'-DEOXYTHYMIDINE](/api/spectrum/GS1wPgCWd2F/structure.png?h=300&w=458 "5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-(N,N-DIETHYLAMINO)-[3-(N-TERT.-BUTYLCARBOXAMIDO)-BUTYLOXY]-PHOSPHINYL-2'-DEOXYTHYMIDINE")
| SpectraBase Compound ID | IuJgJQALakv |
|---|---|
| InChI | InChI=1S/2C44H59N4O9P/c2*1-9-47(10-2)58(55-27-15-14-18-39(49)46-43(4,5)6)57-37-28-40(48-29-31(3)41(50)45-42(48)51)56-38(37)30-54-44(32-16-12-11-13-17-32,33-19-23-35(52-7)24-20-33)34-21-25-36(53-8)26-22-34/h2*11-13,16-17,19-26,29,37-38,40H,9-10,14-15,18,27-28,30H2,1-8H3,(H,46,49)(H,45,50,51)/t2*37-,38+,40+,58?/m11/s1 |
| InChIKey | XIHHHGPIIBFAOO-HKYFLKMCSA-N |
| Mol Weight | 1637.9 g/mol |
| Molecular Formula | C88H118N8O18P2 |
| Exact Mass | 1636.803933 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GS1wPgCWd2F |
|---|---|
| Name | 5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-(N,N-DIETHYLAMINO)-[3-(N-TERT.-BUTYLCARBOXAMIDO)-BUTYLOXY]-PHOSPHINYL-2'-DEOXYTHYMIDINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H118N8O18P2 |
| InChI | InChI=1S/2C44H59N4O9P/c2*1-9-47(10-2)58(55-27-15-14-18-39(49)46-43(4,5)6)57-37-28-40(48-29-31(3)41(50)45-42(48)51)56-38(37)30-54-44(32-16-12-11-13-17-32,33-19-23-35(52-7)24-20-33)34-21-25-36(53-8)26-22-34/h2*11-13,16-17,19-26,29,37-38,40H,9-10,14-15,18,27-28,30H2,1-8H3,(H,46,49)(H,45,50,51)/t2*37-,38+,40+,58?/m11/s1 |
| InChIKey | XIHHHGPIIBFAOO-HKYFLKMCSA-N |
| Literature Reference Author | A.WILK,M.K.CHMIELEWSKI,A.GRAJKOWSKI,L.R.PHILLIPS,S.L.BEAUCAG E |
| Literature Reference Citation | J.ORG.CHEM.,67,6430(2002) |
| Literature Reference DOI | 10.1021/jo0258608 |
| Solvent | C6D6 |
| Source File Reference | UWSI22012 |