| SpectraBase Compound ID | 50jmpZ3JvmI |
|---|---|
| InChI | InChI=1S/C28H35N7O10S/c1-14-4-6-17(7-5-14)46(42,43)33-26(29-10-20-19(37)9-23(44-20)35-12-16(3)25(39)32-28(35)41)30-18-8-22(45-21(18)13-36)34-11-15(2)24(38)31-27(34)40/h4-7,11-12,18-23,36-37H,8-10,13H2,1-3H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t18-,19+,20-,21+,22+,23-/m1/s1 |
| InChIKey | YOPFFHXMSBTXRA-LLFXUEIYSA-N |
| Mol Weight | 661.7 g/mol |
| Molecular Formula | C28H35N7O10S |
| Exact Mass | 661.216612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aWHfjoethx |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(4-METHYLSULFONYL)-GUANIDINE |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H35N7O10S |
| InChI | InChI=1S/C28H35N7O10S/c1-14-4-6-17(7-5-14)46(42,43)33-26(29-10-20-19(37)9-23(44-20)35-12-16(3)25(39)32-28(35)41)30-18-8-22(45-21(18)13-36)34-11-15(2)24(38)31-27(34)40/h4-7,11-12,18-23,36-37H,8-10,13H2,1-3H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t18-,19+,20-,21+,22+,23-/m1/s1 |
| InChIKey | YOPFFHXMSBTXRA-LLFXUEIYSA-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 | 661.687 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6731 |