| SpectraBase Compound ID | 7TBMco08glB |
|---|---|
| InChI | InChI=1S/C70H115N3O4.2BrH/c1-47(2)49(5)19-21-51(7)59-27-29-61-57-25-23-53-43-55(31-35-67(53,9)63(57)33-37-69(59,61)11)76-65(74)45-72(13,14)41-17-39-71-40-18-42-73(15,16)46-66(75)77-56-32-36-68(10)54(44-56)24-26-58-62-30-28-60(70(62,12)38-34-64(58)68)52(8)22-20-50(6)48(3)4;;/h19-26,47-52,55-56,59-64,71H,17-18,27-46H2,1-16H3;2*1H/q+2;;/p-2/b21-19+,22-20+;;/t49-,50-,51+,52+,55-,56-,59+,60+,61-,62-,63-,64-,67-,68-,69+,70+;;/m0../s1 |
| InChIKey | ANDZVUIVKYAHCL-XSEVKKBTSA-L |
| Mol Weight | 1222.5 g/mol |
| Molecular Formula | C70H115Br2N3O4 |
| Exact Mass | 1219.725435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hm2u9V4MHWe |
|---|---|
| Name | N,N,N',N'-TETRAMETHYL-1,5,9-TRIAZANONANE-1,9-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-ERGOSTA-5,7,22-TRIENE)-AMMONIUM-DIBROMIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H115Br2N3O4 |
| InChI | InChI=1S/C70H115N3O4.2BrH/c1-47(2)49(5)19-21-51(7)59-27-29-61-57-25-23-53-43-55(31-35-67(53,9)63(57)33-37-69(59,61)11)76-65(74)45-72(13,14)41-17-39-71-40-18-42-73(15,16)46-66(75)77-56-32-36-68(10)54(44-56)24-26-58-62-30-28-60(70(62,12)38-34-64(58)68)52(8)22-20-50(6)48(3)4;;/h19-26,47-52,55-56,59-64,71H,17-18,27-46H2,1-16H3;2*1H/q+2;;/p-2/b21-19+,22-20+;;/t49-,50-,51+,52+,55-,56-,59+,60+,61-,62-,63-,64-,67-,68-,69+,70+;;/m0../s1 |
| InChIKey | ANDZVUIVKYAHCL-XSEVKKBTSA-L |
| Literature Reference Author | B.BRYCKI,H.KOENIG,I.KOWALCZYK,T.POSPIESZNY |
| Literature Reference Citation | MOLECULES,19,9419(2014) |
| Literature Reference DOI | 10.3390/molecules19079419 |
| Molecular Weight | 1222.509 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR15078 |