![P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(3'-O-ACETYLTHYMIDIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE)](/api/spectrum/JoBhoX2Hw2o/structure.png?h=300&w=458 "P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(3'-O-ACETYLTHYMIDIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE)")
| SpectraBase Compound ID | FzNIvAW7Z2X |
|---|---|
| InChI | InChI=1S/C21H27N3O13P2/c1-13-10-23(21(27)22-20(13)26)19-9-17(36-14(2)25)18(37-19)11-35-39(32,33)12-38(30,31)34-8-7-15-3-5-16(6-4-15)24(28)29/h3-6,10,17-19H,7-9,11-12H2,1-2H3,(H,30,31)(H,32,33)(H,22,26,27)/t17-,18+,19+/m0/s1 |
| InChIKey | JIPBSFDLTDLRQQ-IPMKNSEASA-N |
| Mol Weight | 591.4 g/mol |
| Molecular Formula | C21H27N3O13P2 |
| Exact Mass | 591.101912 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JoBhoX2Hw2o |
|---|---|
| Name | P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(3'-O-ACETYLTHYMIDIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE) |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H25N3O13P2 |
| InChI | InChI=1S/C21H27N3O13P2/c1-13-10-23(21(27)22-20(13)26)19-9-17(36-14(2)25)18(37-19)11-35-39(32,33)12-38(30,31)34-8-7-15-3-5-16(6-4-15)24(28)29/h3-6,10,17-19H,7-9,11-12H2,1-2H3,(H,30,31)(H,32,33)(H,22,26,27)/t17-,18+,19+/m0/s1 |
| InChIKey | JIPBSFDLTDLRQQ-IPMKNSEASA-N |
| Literature Reference Author | K.LESIAK,K.A.WATANABE,J.GEORGE,K.W.PANKIEWICZ |
| Literature Reference Citation | J.ORG.CHEM.,63,1906(1998) |
| Literature Reference DOI | 10.1021/jo971859a |
| Solvent | D2O |
| Source File Reference | UWSI28031 |