| SpectraBase Compound ID | 13ZGiEPtDRO |
|---|---|
| InChI | InChI=1S/C24H30N8O8S/c1-11-8-31(23(37)28-19(11)35)17-5-13(16(10-33)40-17)27-21(30-22-25-3-4-41-22)26-7-15-14(34)6-18(39-15)32-9-12(2)20(36)29-24(32)38/h3-4,8-9,13-18,33-34H,5-7,10H2,1-2H3,(H,28,35,37)(H,29,36,38)(H2,25,26,27,30)/t13-,14+,15-,16+,17+,18-/m1/s1 |
| InChIKey | XUPPDALSGSOVBD-BQULAQKPSA-N |
| Mol Weight | 590.61 g/mol |
| Molecular Formula | C24H30N8O8S |
| Exact Mass | 590.190731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PlXx1zb72X |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(THIAZOL-2-YL)-GUANIDINE |
| Compound Number | 5I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H30N8O8S |
| InChI | InChI=1S/C24H30N8O8S/c1-11-8-31(23(37)28-19(11)35)17-5-13(16(10-33)40-17)27-21(30-22-25-3-4-41-22)26-7-15-14(34)6-18(39-15)32-9-12(2)20(36)29-24(32)38/h3-4,8-9,13-18,33-34H,5-7,10H2,1-2H3,(H,28,35,37)(H,29,36,38)(H2,25,26,27,30)/t13-,14+,15-,16+,17+,18-/m1/s1 |
| InChIKey | XUPPDALSGSOVBD-BQULAQKPSA-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 | 590.611 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6737 |