For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
TRIMETHYLENE-1,3-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-CHOLEST-5-ENE)-AMMONIUM-DIBROMIDE
SpectraBase Compound ID HLjHf4L7Msz
InChI InChI=1S/C65H112N2O4.2BrH/c1-44(2)18-15-20-46(5)54-26-28-56-52-24-22-48-40-50(30-34-62(48,7)58(52)32-36-64(54,56)9)70-60(68)42-66(11,12)38-17-39-67(13,14)43-61(69)71-51-31-35-63(8)49(41-51)23-25-53-57-29-27-55(47(6)21-16-19-45(3)4)65(57,10)37-33-59(53)63;;/h22-23,44-47,50-59H,15-21,24-43H2,1-14H3;2*1H/q+2;;/p-2/t46-,47-,50+,51+,52+,53+,54-,55-,56+,57+,58+,59+,62+,63+,64-,65-;;/m1../s1
InChIKey QAATWAQYIZKNDR-LBRQRBGPSA-L
Mol Weight 1145.4 g/mol
Molecular Formula C65H112Br2N2O4
Exact Mass 1142.698886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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 4ehIvQ7R9vJ
Name TRIMETHYLENE-1,3-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-CHOLEST-5-ENE)-AMMONIUM-DIBROMIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H112Br2N2O4
InChI InChI=1S/C65H112N2O4.2BrH/c1-44(2)18-15-20-46(5)54-26-28-56-52-24-22-48-40-50(30-34-62(48,7)58(52)32-36-64(54,56)9)70-60(68)42-66(11,12)38-17-39-67(13,14)43-61(69)71-51-31-35-63(8)49(41-51)23-25-53-57-29-27-55(47(6)21-16-19-45(3)4)65(57,10)37-33-59(53)63;;/h22-23,44-47,50-59H,15-21,24-43H2,1-14H3;2*1H/q+2;;/p-2/t46-,47-,50+,51+,52+,53+,54-,55-,56+,57+,58+,59+,62+,63+,64-,65-;;/m1../s1
InChIKey QAATWAQYIZKNDR-LBRQRBGPSA-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 1145.423 g/mol
Solvent CDCl3
Source File Reference UWIR15079