| SpectraBase Compound ID | BEGp0YbIl4w |
|---|---|
| InChI | InChI=1S/C67H121N3O4.2BrH/c1-46(2)18-16-20-48(5)56-26-28-58-54-24-22-50-42-52(30-34-64(50,7)60(54)32-36-66(56,58)9)73-62(71)44-69(12,13)40-38-68(11)39-41-70(14,15)45-63(72)74-53-31-35-65(8)51(43-53)23-25-55-59-29-27-57(49(6)21-17-19-47(3)4)67(59,10)37-33-61(55)65;;/h46-61H,16-45H2,1-15H3;2*1H/q+2;;/p-2/t48-,49-,50-,51-,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,64+,65+,66-,67-;;/m1../s1 |
| InChIKey | IXDDENKRWOZTFV-JOSIYZLNSA-L |
| Mol Weight | 1192.5 g/mol |
| Molecular Formula | C67H121Br2N3O4 |
| Exact Mass | 1189.772385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbNKyefxpvS |
|---|---|
| Name | N,N,N',N',N''-PENTAMETHYL-1,4,7-TRIAZAHEPTANE-1,7-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-5-BETA-CHOLESTAN)-AMMONIUM-DIBROMIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H121Br2N3O4 |
| InChI | InChI=1S/C67H121N3O4.2BrH/c1-46(2)18-16-20-48(5)56-26-28-58-54-24-22-50-42-52(30-34-64(50,7)60(54)32-36-66(56,58)9)73-62(71)44-69(12,13)40-38-68(11)39-41-70(14,15)45-63(72)74-53-31-35-65(8)51(43-53)23-25-55-59-29-27-57(49(6)21-17-19-47(3)4)67(59,10)37-33-61(55)65;;/h46-61H,16-45H2,1-15H3;2*1H/q+2;;/p-2/t48-,49-,50-,51-,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,64+,65+,66-,67-;;/m1../s1 |
| InChIKey | IXDDENKRWOZTFV-JOSIYZLNSA-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 | 1192.523 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR15083 |