| SpectraBase Compound ID | 2Y0QiQbe89L |
|---|---|
| InChI | InChI=1S/C27H32N8O9/c1-13-10-34(26(41)32-22(13)38)20-6-16(19(12-36)44-20)30-25(31-24(40)15-4-3-5-28-8-15)29-9-18-17(37)7-21(43-18)35-11-14(2)23(39)33-27(35)42/h3-5,8,10-11,16-21,36-37H,6-7,9,12H2,1-2H3,(H,32,38,41)(H,33,39,42)(H2,29,30,31,40)/t16-,17+,18-,19+,20+,21-/m1/s1 |
| InChIKey | FWJGAYONSUXVPX-ZWJPJJENSA-N |
| Mol Weight | 612.6 g/mol |
| Molecular Formula | C27H32N8O9 |
| Exact Mass | 612.229225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I08VTbE5PXJ |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-NICOTINOYL-GUANIDINE |
| Compound Number | 5H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32N8O9 |
| InChI | InChI=1S/C27H32N8O9/c1-13-10-34(26(41)32-22(13)38)20-6-16(19(12-36)44-20)30-25(31-24(40)15-4-3-5-28-8-15)29-9-18-17(37)7-21(43-18)35-11-14(2)23(39)33-27(35)42/h3-5,8,10-11,16-21,36-37H,6-7,9,12H2,1-2H3,(H,32,38,41)(H,33,39,42)(H2,29,30,31,40)/t16-,17+,18-,19+,20+,21-/m1/s1 |
| InChIKey | FWJGAYONSUXVPX-ZWJPJJENSA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 612.599 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6736 |