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Tetradodecylammonium bromide

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

Tetradodecylammonium bromide
SpectraBase Compound ID AUypEFsdrXD
InChI InChI=1S/C48H100N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1
InChIKey SMEFTBPJZGVAPK-UHFFFAOYSA-M
Mol Weight 771.2 g/mol
Molecular Formula C48H100BrN
Exact Mass 769.703915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9F70tgRynKo
Name Tetradodecylammonium bromide
Alternate Name(s) Tetradodecylazanium bromide Tetralaurylammonium bromide Tetradodecylammonium; bromide Tetradodecylazanium; bromide
CAS Registry Number 14866-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H100BrN
InChI InChI=1S/C48H100N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1
InChIKey SMEFTBPJZGVAPK-UHFFFAOYSA-M
Molecular Weight 771.239 g/mol
SMILES [Br-].C(CCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC)C
SPLASH splash10-014i-9217000000-218f6d39c22f1178d6ce
Wiley ID 1493738