| SpectraBase Compound ID | 3kWMBmMnsjO |
|---|---|
| InChI | InChI=1S/C22H31N7O10S/c1-10-7-28(21(34)25-18(10)32)16-4-12(15(9-30)39-16)24-20(27-40(3,36)37)23-6-14-13(31)5-17(38-14)29-8-11(2)19(33)26-22(29)35/h7-8,12-17,30-31H,4-6,9H2,1-3H3,(H2,23,24,27)(H,25,32,34)(H,26,33,35)/t12-,13+,14-,15+,16+,17-/m1/s1 |
| InChIKey | MWGWBDNMDUMEEW-IAFLNBNSSA-N |
| Mol Weight | 585.59 g/mol |
| Molecular Formula | C22H31N7O10S |
| Exact Mass | 585.185311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5doho1VGsZo |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(METHYLSULFONYL)-GUANIDINE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31N7O10S |
| InChI | InChI=1S/C22H31N7O10S/c1-10-7-28(21(34)25-18(10)32)16-4-12(15(9-30)39-16)24-20(27-40(3,36)37)23-6-14-13(31)5-17(38-14)29-8-11(2)19(33)26-22(29)35/h7-8,12-17,30-31H,4-6,9H2,1-3H3,(H2,23,24,27)(H,25,32,34)(H,26,33,35)/t12-,13+,14-,15+,16+,17-/m1/s1 |
| InChIKey | MWGWBDNMDUMEEW-IAFLNBNSSA-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 | 585.589 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6729 |