| SpectraBase Compound ID | LT0nJxWs3jQ |
|---|---|
| InChI | InChI=1S/C58H74N10.2ClH/c1-55(2,3)47-21-39-17-43(25-47)33-65-13-14-66(37-65)34-44-19-41(23-49(26-44)57(7,8)9)31-53-60-54(64-63-53)32-42-20-46(28-50(24-42)58(10,11)12)36-68-16-15-67(38-68)35-45-18-40(22-48(27-45)56(4,5)6)30-52-59-51(29-39)61-62-52;;/h13-23,25-28,37-38,46H,24,29-36H2,1-12H3,(H,59,61,62)(H,60,63,64);2*1H/q+2;;/p-2 |
| InChIKey | OYIMBRGPIOARDF-UHFFFAOYSA-L |
| Mol Weight | 982.21 g/mol |
| Molecular Formula | C58H74Cl2N10 |
| Exact Mass | 980.547498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDtuAiz854M |
|---|---|
| Name | OYIMBRGPIOARDF-UHFFFAOYSA-L |
| Compound Number | 6B.2CL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H74Cl2N10 |
| InChI | InChI=1S/C58H74N10.2ClH/c1-55(2,3)47-21-39-17-43(25-47)33-65-13-14-66(37-65)34-44-19-41(23-49(26-44)57(7,8)9)31-53-60-54(64-63-53)32-42-20-46(28-50(24-42)58(10,11)12)36-68-16-15-67(38-68)35-45-18-40(22-48(27-45)56(4,5)6)30-52-59-51(29-39)61-62-52;;/h13-23,25-28,37-38,46H,24,29-36H2,1-12H3,(H,59,61,62)(H,60,63,64);2*1H/q+2;;/p-2 |
| InChIKey | OYIMBRGPIOARDF-UHFFFAOYSA-L |
| Literature Reference Author | E.ALCALDE,C.AYALA,I.DINARES,N.MESQUIDA,F.SANCHEZ-FERRANDO |
| Literature Reference Citation | J.ORG.CHEM.,66,2281(2001) |
| Literature Reference DOI | 10.1021/jo005678b |
| Molecular Weight | 982.199 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26509 |