Tetraoctylammonium bromide(14866-33-2) MS

Molecular FormulaC32H68BrN

Molecular Weight546.79

InChIInChI=1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1

InChIKey QBVXKDJEZKEASM-UHFFFAOYSA-M

Smiles[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]

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Tetraoctylammonium bromide(14866-33-2) MS
Mass

MS-NW-7189          
tetraoctylammonium bromide
C32H68BrN           (Mass of molecular ion:    545)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       1.6
      27.0       3.2
      29.0       5.9
      30.0       1.8
      39.0       2.1
      41.0      11.9
      42.0       3.8
      43.0      18.2
      44.0       4.7
      55.0       9.4
      56.0       3.5
      57.0      13.8
      58.0       4.1
      69.0       5.4
      70.0       2.7
      71.0       8.0
      83.0       1.2
      84.0       2.1
      98.0       2.5
     112.0       4.1
     126.0       1.5
     135.0       8.0
     137.0       7.7
     140.0       1.1
     142.0       3.0
     154.0       3.0
     156.0       7.5
     240.0       1.1
     252.0       3.1
     254.0     100.0
     255.0      19.5
     256.0       1.8
     280.0       1.9
     352.0       2.6
     353.0       2.4

90 MHz in CDCl3

Tetraoctylammonium bromide(14866-33-2) MS

¹H NMR	89.56 MHz
C₃₂ H₆₈ Br N	0.039 g : 0.5 ml CDCl₃
tetraoctylammonium bromide

    Assign.     Shift(ppm)

      A             3.39
      B             1.67
      C             1.31
      D             0.89

     Hz     ppm     Int.

    304.50   3.400    138
    141.56   1.581    116
    116.75   1.304   1000
     84.13   0.940    239
     78.94   0.882    628
     74.88   0.837    137
     72.75   0.813    159

in CDCl3