DECAMETHONIUM BROMIDE(541-22-0) IR2
Product NameDECAMETHONIUM BROMIDE
CAS541-22-0
Molecular FormulaC16H38Br2N2
Molecular Weight418.29
InChIInChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChIKey HLXQFVXURMXRPU-UHFFFAOYSA-L
SmilesC(CCCCCCCCC[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C16 H38 Br2 N2 0.040 g : 0.5 ml DMSO-d6 decamethylenebis(trimethylammonium bromide) 
Assign. Shift(ppm)
A 3.361 B 3.104 C 1.673 D 1.27
Hz ppm Int.1351.68 3.383 63 1346.80 3.370 39 1344.85 3.366 33 1343.14 3.361 45 1339.23 3.352 36 1334.59 3.340 59 1240.60 3.105 1000 677.00 1.694 27 672.73 1.684 31 668.70 1.674 36 665.28 1.665 29 661.25 1.655 27
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
