Benzyltributylammonium bromide(25316-59-0) IR2

Product NameBenzyltributylammonium bromide

CAS 25316-59-0

Molecular FormulaC19H34BrN

Molecular Weight356.38

InChIInChI=1S/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1

InChIKey UDYGXWPMSJPFDG-UHFFFAOYSA-M

Smiles[N+](CCCC)(CCCC)(CCCC)CC1=CC=CC=C1.[Br-]

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Mass

MS-NW-7025          
benzyltributylammonium bromide
C19H34BrN           (Mass of molecular ion:    355)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.0
      17.0       1.1
      18.0       4.6
      27.0       5.3
      28.0       2.8
      29.0      16.6
      30.0       9.0
      38.0       1.9
      39.0       7.3
      40.0       1.0
      41.0      12.8
      42.0       8.4
      43.0       4.6
      44.0      12.2
      45.0       1.3
      50.0       2.4
      51.0       3.1
      52.0       1.3
      55.0       4.3
      56.0       3.0
      57.0      10.0
      58.0       6.6
      62.0       2.1
      63.0       4.7
      64.0       1.3
      65.0      10.8
      70.0       1.9
      72.0       1.3
      84.0       3.6
      86.0       3.6
      89.0       3.8
      90.0       2.2
      91.0      76.6
      92.0       7.2
      98.0       3.8
     100.0      33.4
     101.0       2.6
     128.0       1.2
     140.0       1.6
     142.0     100.0
     143.0      11.3
     170.0       4.3
     172.0       4.6
     176.0       2.5
     184.0       1.4
     185.0       6.8
     186.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₃₄ Br N	0.040 g : 0.5 ml CDCl₃
benzyltributylammonium bromide

    Assign.     Shift(ppm)

      A          7.50 to 7.45
      B             4.868
      C             3.34
      D             1.80
      E             1.397
      F             0.99

     Hz     ppm     Int.

    669.44   7.475    475
    440.13   4.915     43
    439.69   4.910     49
    436.06   4.869    401
    432.44   4.829     47
    431.63   4.820     32
    308.00   3.440    206
    300.50   3.356    235
    291.50   3.255    294
    162.00   1.809    206
    123.06   1.375    251
     95.19   1.063    626
     88.75   0.991   1000
     81.38   0.909    264

in CDCl3