| SpectraBase Compound ID | FpcDfxyKvAr |
|---|---|
| InChI | InChI=1S/C27H33N7O10S/c1-14-11-33(26(39)30-23(14)37)21-8-17(20(13-35)44-21)29-25(32-45(41,42)16-6-4-3-5-7-16)28-10-19-18(36)9-22(43-19)34-12-15(2)24(38)31-27(34)40/h3-7,11-12,17-22,35-36H,8-10,13H2,1-2H3,(H2,28,29,32)(H,30,37,39)(H,31,38,40)/t17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | FPUKONQICSBHRF-NPQLIOMISA-N |
| Mol Weight | 647.7 g/mol |
| Molecular Formula | C27H33N7O10S |
| Exact Mass | 647.200961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gBBxijznnt |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(PHENYLSULFONYL)-GUANIDINE |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H33N7O10S |
| InChI | InChI=1S/C27H33N7O10S/c1-14-11-33(26(39)30-23(14)37)21-8-17(20(13-35)44-21)29-25(32-45(41,42)16-6-4-3-5-7-16)28-10-19-18(36)9-22(43-19)34-12-15(2)24(38)31-27(34)40/h3-7,11-12,17-22,35-36H,8-10,13H2,1-2H3,(H2,28,29,32)(H,30,37,39)(H,31,38,40)/t17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | FPUKONQICSBHRF-NPQLIOMISA-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 | 647.660 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6730 |