541-20-8

PENTAMETHONIUM BROMIDE(541-20-8) IR2

Product NamePENTAMETHONIUM BROMIDE

CAS 541-20-8

Molecular FormulaC11H28Br2N2

Molecular Weight348.16

InChIInChI=1S/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2

InChIKey GJVFBWCTGUSGDD-UHFFFAOYSA-L

SmilesC(CCCC[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-]

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400 MHz in DMSO-d6

PENTAMETHONIUM BROMIDE(541-20-8) IR2

¹H NMR	399.65 MHz
C₁₁ H₂₈ Br₂ N₂	0.039 g : 0.5 ml DMSO-d₆
pentamethylenebis(trimethylammonium bromide)

    Assign.     Shift(ppm)

      A             3.405
      B             3.110
      C             1.761
      D             1.309
     
     SIGNAL A OVERLAPPED BY H2O

     Hz     ppm     Int.

   1369.75   3.428     48
   1364.87   3.416     33
   1361.21   3.407     39
   1357.30   3.397     39
   1352.66   3.385     79
   1243.04   3.111   1000
    712.89   1.784     23
    708.01   1.772     25
    704.10   1.762     33
    700.56   1.753     26
    696.41   1.743     27

in D2O

in DMSO-d6

KBr disc

nujol mull

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