2-溴-6-硝基甲苯(55289-35-5)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴-6-硝基甲苯

CAS:55289-35-5

分子式:C7H6BrNO2

分子量: 216.03

InChI:InChI=1S/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

InChIKey: LYTNSGFSAXWBCA-UHFFFAOYSA-N

Smiles:C1(Br)=CC=CC([N+]([O-])=O)=C1C

Mass

MS-IW-9452          
2-bromo-6-nitrotoluene
C7H6BrNO2           (Mass of molecular ion:    215)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.6
      28.0       3.3
      30.0       2.6
      37.0       2.3
      38.0       5.1
      39.0      16.2
      40.0       1.9
      43.0       2.2
      44.0       1.5
      49.0       1.2
      50.0       7.5
      51.0      11.7
      52.0       3.3
      61.0       3.8
      62.0      11.8
      63.0      37.2
      64.0      10.4
      65.0       2.8
      74.0       3.5
      75.0       5.3
      76.0       2.6
      77.0      12.0
      78.0      19.1
      79.0       1.6
      85.0       1.4
      86.0       2.9
      87.0       2.8
      88.0       2.2
      89.0      56.9
      90.0     100.0
      91.0      29.0
      92.0       5.2
     105.0       1.1
     106.0       2.8
     117.0       1.8
     119.0      18.2
     120.0       1.8
     143.0       5.2
     145.0       4.9
     157.0       1.0
     168.0       1.3
     169.0      11.3
     170.0      18.0
     171.0      12.7
     172.0      16.6
     173.0       1.8
     198.0      66.0
     199.0       5.8
     200.0      64.4
     201.0       5.6
     215.0      19.6
     216.0       1.8
     217.0      19.0
     218.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ Br N O₂	0.037 g : 0.5 ml DMSO-d₆
2-bromo-6-nitrotoluene

    Assign.     Shift(ppm)

      A             7.970
      B             7.902
      C             7.408
      D             2.466

     Hz     ppm     Int.

   3189.82   7.982    110
   3188.96   7.980    119
   3181.76   7.962    121
   3180.91   7.960    129
   3163.70   7.917    113
   3162.84   7.915    109
   3155.52   7.896    127
   3154.66   7.894    118
   2968.99   7.429     89
   2968.38   7.428     86
   2960.94   7.409    161
   2960.33   7.408    157
   2952.76   7.389     77
   2952.27   7.388     75
    985.60   2.467   1000

in DMSO-d6