![1-[2-DEOXY-3,5-DI-O,O-(4-METHYLBENZOYL)-BETA-D-RIBOFURANOSYL]-2-(4-CHLOROPHENYLAMINO)-4-PYRIMIDINONE](/api/spectrum/LfegAOor3c1/structure.png?h=300&w=458 "1-[2-DEOXY-3,5-DI-O,O-(4-METHYLBENZOYL)-BETA-D-RIBOFURANOSYL]-2-(4-CHLOROPHENYLAMINO)-4-PYRIMIDINONE")
| SpectraBase Compound ID | Gfwwqfa1frI |
|---|---|
| InChI | InChI=1S/C31H28ClN3O6/c1-19-3-7-21(8-4-19)29(37)39-18-26-25(41-30(38)22-9-5-20(2)6-10-22)17-28(40-26)35-16-15-27(36)34-31(35)33-24-13-11-23(32)12-14-24/h3-16,25-26,28H,17-18H2,1-2H3,(H,33,34,36)/t25-,26+,28+/m1/s1 |
| InChIKey | ZLOPRLKKGPXTJY-PBWSGDRGSA-N |
| Mol Weight | 574.03 g/mol |
| Molecular Formula | C31H28ClN3O6 |
| Exact Mass | 573.166663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfegAOor3c1 |
|---|---|
| Name | 1-[2-DEOXY-3,5-DI-O,O-(4-METHYLBENZOYL)-BETA-D-RIBOFURANOSYL]-2-(4-CHLOROPHENYLAMINO)-4-PYRIMIDINONE |
| Compound Number | 7C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H28ClN3O6 |
| InChI | InChI=1S/C31H28ClN3O6/c1-19-3-7-21(8-4-19)29(37)39-18-26-25(41-30(38)22-9-5-20(2)6-10-22)17-28(40-26)35-16-15-27(36)34-31(35)33-24-13-11-23(32)12-14-24/h3-16,25-26,28H,17-18H2,1-2H3,(H,33,34,36)/t25-,26+,28+/m1/s1 |
| InChIKey | ZLOPRLKKGPXTJY-PBWSGDRGSA-N |
| Literature Reference Author | O.M.ALI |
| Literature Reference Citation | MH.CHEM.,138,917(2007) |
| Literature Reference DOI | 10.1007/s00706-007-0671-9 |
| Molecular Weight | 574.033 g/mol |
| Sample ID | 68694 |
| Solvent | CDCl3 |