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

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(2-hydroxytrimethylene)bis[dimethyltetradecylammonium]dibromide, laurate
SpectraBase Compound ID AbpIAChIj2o
InChI InChI=1S/C47H98N2O2.2BrH/c1-8-11-14-17-20-23-25-27-30-33-36-39-42-48(4,5)44-46(51-47(50)41-38-35-32-29-22-19-16-13-10-3)45-49(6,7)43-40-37-34-31-28-26-24-21-18-15-12-9-2;;/h46H,8-45H2,1-7H3;2*1H/q+2;;/p-2
InChIKey LBLNJXJGJAAEMK-UHFFFAOYSA-L
Mol Weight 883.1 g/mol
Molecular Formula C47H98Br2N2O2
Exact Mass 880.599506 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DacQdw0J48c
Name (2-HYDROXYTRIMETHYLENE)BIS[DIMETHYLTETRADECYLAMMONIUM] DIBROMIDE,LAURATE
Source of Sample F. Devinsky, Komensky University, Bratislava, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H98Br2N2O2
InChI InChI=1S/C47H98N2O2.2BrH/c1-8-11-14-17-20-23-25-27-30-33-36-39-42-48(4,5)44-46(51-47(50)41-38-35-32-29-22-19-16-13-10-3)45-49(6,7)43-40-37-34-31-28-26-24-21-18-15-12-9-2;;/h46H,8-45H2,1-7H3;2*1H/q+2;;/p-2
InChIKey LBLNJXJGJAAEMK-UHFFFAOYSA-L
Melting Point 174-175C
Molecular Weight 883.14
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms AMMONIUM DIBROMIDE, /2-HYDROXYTRIMETHYLENE/BIS/DIMETHYLTETRADECYL-, LAURATE