89-60-1

3-硝基-4-氯甲苯(89-60-1)核磁图(¹³CNMR)

产品名称:3-硝基-4-氯甲苯

CAS:89-60-1

分子式:C7H6ClNO2

分子量: 171.58

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

InChIKey: NWESJZZPAJGHRZ-UHFFFAOYSA-N

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

Mass

MS-NW-0964          
4-chloro-3-nitrotoluene
C7H6ClNO2           (Mass of molecular ion:    171)

   Source Temperature: 290 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.6
      26.0       1.6
      27.0       5.6
      28.0       5.0
      30.0      27.9
      36.0       2.7
      37.0       4.9
      38.0       7.1
      39.0      35.7
      40.0       2.9
      41.0       2.3
      43.0       2.4
      44.0       1.0
      46.0       1.7
      49.0       2.8
      50.0      13.1
      51.0      19.2
      52.0       3.9
      53.0       2.5
      61.0       5.8
      62.0      15.9
      63.0      55.6
      64.0       8.2
      65.0       8.7
      72.0       1.7
      73.0      14.9
      74.0       5.3
      75.0      10.5
      76.0       1.7
      77.0      73.4
      78.0      11.8
      84.0       1.6
      85.0       3.3
      86.0       4.2
      87.0       4.8
      88.0       1.7
      89.0     100.0
      90.0      29.1
      91.0       2.2
      97.0       2.6
      99.0      37.5
     100.0       2.0
     101.0      11.3
     106.0       1.7
     113.0      46.9
     114.0       3.5
     115.0      15.7
     116.0       1.1
     123.0       2.1
     124.0       4.4
     125.0      78.3
     126.0       8.0
     127.0      24.8
     128.0       2.1
     136.0       1.5
     141.0      16.3
     142.0       1.5
     143.0       5.4
     155.0       2.3
     171.0      94.7
     172.0       7.9
     173.0      31.1
     174.0       2.7