83-42-1

2-氯-6-硝基甲苯(83-42-1)Raman光谱

产品名称:2-氯-6-硝基甲苯

CAS:83-42-1

分子式:C7H6ClNO2

分子量: 171.58

InChI:InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

InChIKey: XCSNRORTQRKCHB-UHFFFAOYSA-N

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

Mass

MS-NW-8767          
2-chloro-6-nitrotoluene
C7H6ClNO2           (Mass of molecular ion:    171)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.6
      28.0       3.7
      30.0       2.9
      36.0       1.4
      37.0       1.5
      38.0       3.7
      39.0      16.8
      40.0       1.3
      43.0       1.5
      49.0       1.8
      50.0       6.3
      51.0      13.0
      52.0       2.6
      61.0       3.4
      62.0      10.8
      63.0      38.9
      64.0       6.8
      65.0       5.4
      73.0       9.4
      74.0       3.6
      75.0       9.4
      76.0       2.2
      77.0      26.1
      78.0       6.6
      85.0       2.2
      86.0       3.0
      87.0       3.9
      88.0       1.5
      89.0      68.2
      90.0      51.4
      91.0       7.8
      92.0       1.2
      97.0       1.5
      98.0       1.0
      99.0      36.3
     100.0       3.0
     101.0      11.4
     102.0       1.0
     111.0       1.2
     112.0       1.4
     113.0       1.9
     123.0       1.3
     124.0       3.4
     125.0      31.2
     126.0      50.8
     127.0      16.2
     128.0      16.2
     129.0       2.1
     154.0     100.0
     155.0       8.6
     156.0      31.9
     157.0       2.8
     171.0      22.3
     172.0       1.9
     173.0       7.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl N O₂	0.041 g : 0.5 ml CDCl₃
2-chloro-6-nitrotoluene

    Assign.     Shift(ppm)

      A             7.67
      B             7.62
      C             7.282
      D             2.534

     Hz     ppm     Int.

    694.06   7.750     73
    693.69   7.746     72
    692.50   7.733     84
    685.50   7.655    144
    684.63   7.645    180
    677.38   7.564    162
    677.00   7.560    159
    675.88   7.547    106
    675.50   7.543     96
    658.50   7.353    130
    657.94   7.347    125
    650.56   7.264    191
    650.00   7.258    136
    642.50   7.174     49
    641.88   7.168     49
    227.19   2.537   1000
    226.69   2.532    966

in CDCl3