613-53-6

2-(三溴甲基)喹啉(613-53-6)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):2-(三溴甲基)喹啉

CAS:613-53-6

分子式:C10H6Br3N

分子量: 379.87

InChI:InChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H

InChIKey: UDYYQHILRSDDMP-UHFFFAOYSA-N

Smiles:N1C2C(=CC=CC=2)C=CC=1C(Br)(Br)Br

Mass

MS-IW-0689          
2-(tribromomethyl)quinoline
C10H6Br3N           (Mass of molecular ion:    377)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.6
      50.0       1.4
      51.0       1.2
      56.0       1.0
      56.5       1.1
      62.0       1.4
      63.0       3.7
      69.5       1.6
      70.0       5.2
      70.5       1.5
      74.0       1.0
      75.0       1.5
      79.0       1.4
      80.0       5.2
      81.0       1.4
      82.0       5.2
      87.0       1.4
      88.0       1.6
      89.0       1.1
     101.0       1.1
     109.5       5.6
     110.0       1.2
     110.5       5.5
     111.0       1.1
     113.0       7.0
     114.0       2.8
     139.0       2.3
     140.0      43.3
     141.0       7.1
     149.0       3.7
     150.0       7.3
     151.0       3.6
     193.0       1.7
     195.0       1.6
     218.0       1.7
     219.0       5.4
     220.0       8.2
     221.0       5.9
     222.0       6.4
     298.0      51.2
     299.0       6.5
     300.0     100.0
     301.0      12.5
     302.0      49.4
     303.0       6.1
     377.0       1.6
     379.0       4.7
     381.0       4.6
     383.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₆ Br₃ N	0.038 g : 0.5 ml CDCl₃
2-(tribromomethyl)quinoline

    Assign.     Shift(ppm)

      A             8.250
      B             8.242
      C             8.203
      D             7.863
      E             7.791
      F             7.606

     Hz     ppm     Int.

   3305.54   8.272     64
   3296.51   8.249    690
   3294.80   8.245   1000
   3286.01   8.223    111
   3283.08   8.215    218
   3282.47   8.214    225
   3274.54   8.194    246
   3273.93   8.192    250
   3147.58   7.876    168
   3147.09   7.875    180
   3146.24   7.873    188
   3138.92   7.855    214
   3138.06   7.853    227
   3122.31   7.813    142
   3120.85   7.809    133
   3115.36   7.796    187
   3113.89   7.792    272
   3112.43   7.788    130
   3106.93   7.775    168
   3105.47   7.771    145
   3055.91   7.647    179
   3054.69   7.644    175
   3048.95   7.630    166
   3047.73   7.626    285
   3046.63   7.624    158
   3040.77   7.609    128
   3039.67   7.606    121

in CDCl3