| SpectraBase Compound ID | FpoV14u6Mlp |
|---|---|
| InChI | InChI=1S/C67H108N2O4.2BrH/c1-44(2)46(5)18-20-48(7)56-26-28-58-54-24-22-50-40-52(30-34-64(50,9)60(54)32-36-66(56,58)11)72-62(70)42-68(13,14)38-17-39-69(15,16)43-63(71)73-53-31-35-65(10)51(41-53)23-25-55-59-29-27-57(67(59,12)37-33-61(55)65)49(8)21-19-47(6)45(3)4;;/h18-25,44-49,52-53,56-61H,17,26-43H2,1-16H3;2*1H/q+2;;/p-2/b20-18+,21-19+;;/t46-,47-,48+,49+,52-,53-,56+,57+,58-,59-,60-,61-,64-,65-,66+,67+;;/m0../s1 |
| InChIKey | QXGUZGMVSCKXDK-HIUFATMKSA-L |
| Mol Weight | 1165.4 g/mol |
| Molecular Formula | C67H108Br2N2O4 |
| Exact Mass | 1162.667586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | li2r2Ro6Vp |
|---|---|
| Name | TRIMETHYLENE-1,3-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-ERGOSTA-5,7,22-TRIENE)-AMMONIUM-DIBROMIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H108Br2N2O4 |
| InChI | InChI=1S/C67H108N2O4.2BrH/c1-44(2)46(5)18-20-48(7)56-26-28-58-54-24-22-50-40-52(30-34-64(50,9)60(54)32-36-66(56,58)11)72-62(70)42-68(13,14)38-17-39-69(15,16)43-63(71)73-53-31-35-65(10)51(41-53)23-25-55-59-29-27-57(67(59,12)37-33-61(55)65)49(8)21-19-47(6)45(3)4;;/h18-25,44-49,52-53,56-61H,17,26-43H2,1-16H3;2*1H/q+2;;/p-2/b20-18+,21-19+;;/t46-,47-,48+,49+,52-,53-,56+,57+,58-,59-,60-,61-,64-,65-,66+,67+;;/m0../s1 |
| InChIKey | QXGUZGMVSCKXDK-HIUFATMKSA-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 | 1165.414 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR15076 |