HEXAMETHONIUM BROMIDE(55-97-0) MS
Molecular FormulaC12H30Br2N2
Molecular Weight362.19
InChIInChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKey FAPSXSAPXXJTOU-UHFFFAOYSA-L
SmilesC(CCCCC[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-]
-

ppm Int. Assign.
67.40 333 1 N-14
67.28 426 1 N-14
67.16 313 1 N-14
53.94 733 2 N-14
53.79 906 2 N-14
53.64 746 2 N-14
25.82 560 3
22.97 1000 4
Spectral Code: 13C NMR : D2O