3674-54-2

硫氰酸四丁基铵(3674-54-2)质谱(MS)

产品名称:硫氰酸四丁基铵

CAS:3674-54-2

分子式:C17H36N2S

分子量: 300.55

InChI:InChI=1S/C16H36N.CHNS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;3H/q+1;/p-1

InChIKey: RSHBFZCIFFBTEW-UHFFFAOYSA-M

Smiles:[N+](CCCC)(CCCC)(CCCC)CCCC.C([S-])#N

Mass

MS-IW-1336          
tetrabutylammonium thiocyanate
C17H36N2S           (Mass of molecular ion:    300)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      27.0       6.5
      28.0       3.8
      29.0      24.5
      30.0       7.0
      39.0       4.5
      41.0      30.6
      42.0       6.5
      43.0       4.3
      44.0       8.4
      45.0       1.1
      55.0       5.4
      56.0       6.3
      57.0      21.4
      58.0       7.8
      59.0       1.9
      60.0       1.2
      68.0       2.1
      70.0       1.6
      72.0       1.6
      84.0       3.3
      86.0       3.3
      87.0       2.2
      98.0       4.1
     100.0      50.3
     101.0       3.6
     114.0       1.5
     115.0       5.3
     128.0       1.1
     140.0       1.6
     142.0     100.0
     143.0      10.5
     184.0       1.1
     185.0       6.2
     186.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₃₆ N₂ S	0.031 g : 0.5 ml CDCl₃
tetrabutylammonium thiocyanate

    Assign.     Shift(ppm)

      A             3.362
      B             1.711
      C             1.482
      D             1.028

     Hz     ppm     Int.

   1352.17   3.384    180
   1346.92   3.371    108
   1343.63   3.363    137
   1340.82   3.355    102
   1335.08   3.341    188
    700.32   1.753     41
    692.99   1.734     89
    688.23   1.723     88
    684.20   1.712    129
    680.42   1.703     90
    676.51   1.693    109
    668.46   1.673     55
    610.72   1.529     34
    603.27   1.510    130
    595.83   1.491    221
    588.50   1.473    219
    581.18   1.455    125
    573.85   1.436     32
    417.97   1.046    505
    410.64   1.028   1000
    403.20   1.009    442

in CDCl3