| SpectraBase Compound ID | 3mc901ZYo7h |
|---|---|
| InChI | InChI=1S/C26H36N10O8/c37-7-13-17(39)19(41)25(43-13)35-11-33-15-21(29-9-31-23(15)35)27-5-3-1-2-4-6-28-22-16-24(32-10-30-22)36(12-34-16)26-20(42)18(40)14(8-38)44-26/h9-14,17-20,25-26,37-42H,1-8H2,(H,27,29,31)(H,28,30,32)/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1 |
| InChIKey | CMPGORQGZUATMJ-RTZOWOBBSA-N |
| Mol Weight | 616.6 g/mol |
| Molecular Formula | C26H36N10O8 |
| Exact Mass | 616.271758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qUKUAJxINF |
|---|---|
| Name | 1,6-DI-(ADENOSIN-N(6)-YL)-HEXANE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36N10O8 |
| InChI | InChI=1S/C26H36N10O8/c37-7-13-17(39)19(41)25(43-13)35-11-33-15-21(29-9-31-23(15)35)27-5-3-1-2-4-6-28-22-16-24(32-10-30-22)36(12-34-16)26-20(42)18(40)14(8-38)44-26/h9-14,17-20,25-26,37-42H,1-8H2,(H,27,29,31)(H,28,30,32)/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1 |
| InChIKey | CMPGORQGZUATMJ-RTZOWOBBSA-N |
| Literature Reference Author | S.D.ERRICO,G.OLIVIERO,N.BORBONE,V.PICCIALLI,B.PINTO,F.D.FALC O,M.C.MAIURI,R.CARNU |
| Literature Reference Citation | MOLECULES,19,9339(2014) |
| Literature Reference DOI | 10.3390/molecules19079339 |
| Molecular Weight | 616.634 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR14822 |