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

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

(2-hydroxytrimethylene)bis[dimethylheptylammonium]dibromide, laurate
SpectraBase Compound ID 5p1CPoPnODY
InChI InChI=1S/C33H70N2O2.2BrH/c1-8-11-14-17-18-19-20-21-24-27-33(36)37-32(30-34(4,5)28-25-22-15-12-9-2)31-35(6,7)29-26-23-16-13-10-3;;/h32H,8-31H2,1-7H3;2*1H/q+2;;/p-2
InChIKey MJZPUEQJNVNGNX-UHFFFAOYSA-L
Mol Weight 686.7 g/mol
Molecular Formula C33H70Br2N2O2
Exact Mass 684.380406 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ZXKcDlbTzy
Name (2-HYDROXYTRIMETHYLENE)BIS[DIMETHYLHEPTYLAMMONIUM] DIBROMIDE,LAURATE
Source of Sample F. Devinsky, Komensky University, Bratislava, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H70Br2N2O2
InChI InChI=1S/C33H70N2O2.2BrH/c1-8-11-14-17-18-19-20-21-24-27-33(36)37-32(30-34(4,5)28-25-22-15-12-9-2)31-35(6,7)29-26-23-16-13-10-3;;/h32H,8-31H2,1-7H3;2*1H/q+2;;/p-2
InChIKey MJZPUEQJNVNGNX-UHFFFAOYSA-L
Melting Point 183-184C
Molecular Weight 686.76
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms AMMONIUM DIBROMIDE, /2-HYDROXYTRIMETHYLENE/BIS/DIMETHYLHEPTYL-, LAURATE