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[(methylimino)diethylene]bis[dimethyl(2-hydroxyethyl)ammonium] dibromide, dioleate (ester)

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[(methylimino)diethylene]bis[dimethyl(2-hydroxyethyl)ammonium] dibromide, dioleate (ester)
SpectraBase Compound ID LsyfnjW80UL
InChI InChI=1S/C49H97N3O4.2BrH/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-48(53)55-46-44-51(4,5)42-40-50(3)41-43-52(6,7)45-47-56-49(54)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;;/h22-25H,8-21,26-47H2,1-7H3;2*1H/q+2;;/p-2
InChIKey NXXTUXNXAIEJOT-UHFFFAOYSA-L
Mol Weight 952.14 g/mol
Molecular Formula C49H97Br2N3O4
Exact Mass 949.584585 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIuu9W1OogR
Name [(methylimino)diethylene]bis[dimethyl(2-hydroxyethyl)ammonium] dibromide, dioleate (ester)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H97Br2N3O4
InChI InChI=1S/C49H97N3O4.2BrH/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-48(53)55-46-44-51(4,5)42-40-50(3)41-43-52(6,7)45-47-56-49(54)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;;/h22-25H,8-21,26-47H2,1-7H3;2*1H/q+2;;/p-2
InChIKey NXXTUXNXAIEJOT-UHFFFAOYSA-L
Instrument Name Varian CFT-20
Sadtler NMR Number 45963M
Solvent CDCl3