| SpectraBase Compound ID | 2W7FrjOh4QO |
|---|---|
| InChI | InChI=1S/C28H32N8O8S/c1-13-10-35(27(41)32-23(13)39)21-7-16(19(12-37)44-21)30-25(34-26-31-15-5-3-4-6-20(15)45-26)29-9-18-17(38)8-22(43-18)36-11-14(2)24(40)33-28(36)42/h3-6,10-11,16-19,21-22,37-38H,7-9,12H2,1-2H3,(H,32,39,41)(H,33,40,42)(H2,29,30,31,34)/t16-,17-,18+,19+,21+,22+/m1/s1 |
| InChIKey | JNSZVGBRUMBMRZ-VWEWRVINSA-N |
| Mol Weight | 640.7 g/mol |
| Molecular Formula | C28H32N8O8S |
| Exact Mass | 640.206381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAZ0QlNkKsK |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(BENZOTHIAZOL-2-YL)-GUANIDINE |
| Compound Number | 5J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32N8O8S |
| InChI | InChI=1S/C28H32N8O8S/c1-13-10-35(27(41)32-23(13)39)21-7-16(19(12-37)44-21)30-25(34-26-31-15-5-3-4-6-20(15)45-26)29-9-18-17(38)8-22(43-18)36-11-14(2)24(40)33-28(36)42/h3-6,10-11,16-19,21-22,37-38H,7-9,12H2,1-2H3,(H,32,39,41)(H,33,40,42)(H2,29,30,31,34)/t16-,17-,18+,19+,21+,22+/m1/s1 |
| InChIKey | JNSZVGBRUMBMRZ-VWEWRVINSA-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 | 640.671 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6738 |