39186-58-8

溴乙基二苯乙腈(39186-58-8)质谱(MS)

产品名称:溴乙基二苯乙腈

CAS:39186-58-8

分子式:C16H14BrN

分子量: 300.2

InChI:InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2

InChIKey: IGYSFJHVFHNOEI-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)(C1C=CC=CC=1)(C#N)CCBr

Mass

MS-NW-9676          
4-bromo-2,2-diphenylbutyronitrile
C16H14BrN           (Mass of molecular ion:    299)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       1.4
      51.0       1.7
      77.0       1.4
     115.0       1.8
     116.0       1.0
     152.0       1.4
     163.0       1.5
     164.0       2.3
     165.0      32.2
     166.0       5.3
     177.0       2.0
     178.0       1.2
     190.0       8.3
     191.0       6.4
     192.0     100.0
     193.0      16.7
     194.0       1.3
     204.0       1.3
     299.0      30.8
     300.0       5.6
     301.0      30.4
     302.0       5.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₄ Br N	0.034 g : 0.5 ml CDCl₃
4-bromo-2,2-diphenylbutyronitrile

    Assign.     Shift(ppm)

      A             7.52
      B             7.47
      C             3.494
      D             3.087

     Hz     ppm     Int.

   3010.13   7.532     46
   3007.81   7.527    297
   3006.84   7.524    416
   3005.25   7.520    145
   3002.93   7.514   1000
   3000.12   7.507     66
   2998.05   7.502     61
   2996.34   7.498     48
   2991.82   7.487    106
   2988.89   7.479     75
   2987.43   7.476     92
   2986.33   7.473     53
   2984.74   7.469     39
   2983.40   7.466     82
   2982.18   7.462     46
   2981.20   7.460     34
   2978.52   7.453     50
   1405.76   3.518     90
   1399.41   3.502     60
   1397.95   3.498     65
   1396.61   3.495     66
   1394.29   3.489     60
   1390.75   3.480     30
   1388.55   3.475    117
   1242.19   3.109    109
   1239.87   3.103     30
   1236.33   3.094     52
   1234.13   3.089     62
   1232.67   3.085     63
   1231.20   3.081     55
   1224.98   3.066     87

in CDCl3