| SpectraBase Compound ID | 7FlO4aUNl0c |
|---|---|
| InChI | InChI=1S/C27H32ClN7O10S/c1-13-10-34(26(40)31-23(13)38)21-7-17(20(12-36)45-21)30-25(33-46(42,43)16-5-3-15(28)4-6-16)29-9-19-18(37)8-22(44-19)35-11-14(2)24(39)32-27(35)41/h3-6,10-11,17-22,36-37H,7-9,12H2,1-2H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | XPPOXWVTQXTOGC-NPQLIOMISA-N |
| Mol Weight | 682.1 g/mol |
| Molecular Formula | C27H32ClN7O10S |
| Exact Mass | 681.161989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5t6qTv2FhUS |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(4-CHLOROPHENYLSULFONYL)-GUANIDINE |
| Compound Number | 5D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32ClN7O10S |
| InChI | InChI=1S/C27H32ClN7O10S/c1-13-10-34(26(40)31-23(13)38)21-7-17(20(12-36)45-21)30-25(33-46(42,43)16-5-3-15(28)4-6-16)29-9-19-18(37)8-22(44-19)35-11-14(2)24(39)32-27(35)41/h3-6,10-11,17-22,36-37H,7-9,12H2,1-2H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | XPPOXWVTQXTOGC-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 | 682.105 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6732 |