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(2-hydroxytrimethylene)bis[dimethylhexadecylammonium]dibromide, laurate

View entire compound with spectra: 2 NMR, and 1 FTIR

(2-hydroxytrimethylene)bis[dimethylhexadecylammonium]dibromide, laurate
SpectraBase Compound ID 5wnTavnPHiB
InChI InChI=1S/C51H106N2O2.2BrH/c1-8-11-14-17-20-23-25-27-29-31-34-37-40-43-46-52(4,5)48-50(55-51(54)45-42-39-36-33-22-19-16-13-10-3)49-53(6,7)47-44-41-38-35-32-30-28-26-24-21-18-15-12-9-2;;/h50H,8-49H2,1-7H3;2*1H/q+2;;/p-2
InChIKey CWQUUVGMKZLMCQ-UHFFFAOYSA-L
Mol Weight 939.229 g/mol
Molecular Formula C51H106Br2N2O2
Exact Mass 936.662107 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5JFGAfGGT1k
Name (2-HYDROXYTRIMETHYLENE)BIS[DIMETHYLHEXADECYLAMMONIUM]DIBROMIDE, LAURATE
Source of Sample F. Devinsky, Komensky University, Bratislava, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H106Br2N2O2
InChI InChI=1S/C51H106N2O2.2BrH/c1-8-11-14-17-20-23-25-27-29-31-34-37-40-43-46-52(4,5)48-50(55-51(54)45-42-39-36-33-22-19-16-13-10-3)49-53(6,7)47-44-41-38-35-32-30-28-26-24-21-18-15-12-9-2;;/h50H,8-49H2,1-7H3;2*1H/q+2;;/p-2
InChIKey CWQUUVGMKZLMCQ-UHFFFAOYSA-L
Melting Point 179-181C
Molecular Weight 939.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms AMMONIUM DIBROMIDE, /2-HYDROXYTRIMETHYLENE/BIS/DIMETHYLHEXADECYL-, LAURATE