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Hexamethonium bromide hydrate

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

Hexamethonium bromide hydrate
SpectraBase Compound ID VWDPaC5bB8
InChI InChI=1S/C12H30N2.2BrH.H2O/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;;/h7-12H2,1-6H3;2*1H;1H2/q+2;;;/p-2
InChIKey OGGZLJDICTTWQL-UHFFFAOYSA-L
Mol Weight 380.209 g/mol
Molecular Formula C12H32Br2N2O
Exact Mass 378.08814 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8pqeVeoGBxk
Name Hexamethonium bromide hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 219673
CAS Registry Number 55-97-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H32Br2N2O
InChI InChI=1S/C12H30N2.2BrH.H2O/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;;/h7-12H2,1-6H3;2*1H;1H2/q+2;;;/p-2
InChIKey OGGZLJDICTTWQL-UHFFFAOYSA-L
Observed nucleus 13C
Purity 97%
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Hexamethylenebis(trimethylammonium bromide)
Wiley ID SIAL_13CNMR_003213