| SpectraBase Compound ID | 1iVianWpVX9 |
|---|---|
| InChI | InChI=1S/C68H119N3O4.2BrH/c1-47(2)19-15-21-49(5)57-27-29-59-55-25-23-51-43-53(31-35-65(51,7)61(55)33-37-67(57,59)9)74-63(72)45-70(11,12)41-17-39-69-40-18-42-71(13,14)46-64(73)75-54-32-36-66(8)52(44-54)24-26-56-60-30-28-58(50(6)22-16-20-48(3)4)68(60,10)38-34-62(56)66;;/h23-24,47-50,53-62,69H,15-22,25-46H2,1-14H3;2*1H/q+2;;/p-2/t49-,50-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,65+,66+,67-,68-;;/m1../s1 |
| InChIKey | AQLPDLHLTRBUEW-UVZOYXQRSA-L |
| Mol Weight | 1202.5 g/mol |
| Molecular Formula | C68H119Br2N3O4 |
| Exact Mass | 1199.756735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ff7ybtHvHaM |
|---|---|
| Name | N,N,N,N',N'-TETRAMETHYL-1,5,9-TRIAZANONANE-1,9-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-CHOLEST-5-ENE)-AMMONIUM-DIBROMIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H119Br2N3O4 |
| InChI | InChI=1S/C68H119N3O4.2BrH/c1-47(2)19-15-21-49(5)57-27-29-59-55-25-23-51-43-53(31-35-65(51,7)61(55)33-37-67(57,59)9)74-63(72)45-70(11,12)41-17-39-69-40-18-42-71(13,14)46-64(73)75-54-32-36-66(8)52(44-54)24-26-56-60-30-28-58(50(6)22-16-20-48(3)4)68(60,10)38-34-62(56)66;;/h23-24,47-50,53-62,69H,15-22,25-46H2,1-14H3;2*1H/q+2;;/p-2/t49-,50-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,65+,66+,67-,68-;;/m1../s1 |
| InChIKey | AQLPDLHLTRBUEW-UVZOYXQRSA-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 | 1202.519 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR15081 |