635-22-3

3-硝基-4-氯苯胺(635-22-3)质谱(MS)

产品名称:3-硝基-4-氯苯胺

CAS:635-22-3

分子式:C6H5ClN2O2

分子量: 172.57

InChI:InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

InChIKey: FOHHWGVAOVDVLP-UHFFFAOYSA-N

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

Mass

MS-NW-7383          
4-chloro-3-nitroaniline
C6H5ClN2O2          (Mass of molecular ion:    172)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       3.9
      30.0       3.0
      37.0       2.8
      38.0       3.3
      39.0       5.8
      40.0       1.9
      41.0       9.1
      44.5       1.5
      46.0       1.2
      49.0       1.8
      50.0       2.5
      51.0       4.2
      52.0       8.1
      53.0       1.7
      54.0       1.7
      61.0       4.0
      62.0       9.5
      63.0      32.6
      64.0       9.7
      65.0       6.6
      66.0       2.4
      72.0       2.4
      73.0      10.5
      74.0       2.7
      75.0       4.5
      76.0       2.1
      78.0       4.4
      79.0       2.0
      86.0       1.6
      87.0       2.1
      88.0       1.6
      89.0       4.6
      90.0      43.3
      91.0      17.6
      92.0       1.4
      97.0       1.1
      98.0       1.4
      99.0      59.2
     100.0       5.0
     101.0      19.6
     102.0       1.5
     106.0       1.1
     109.0       1.5
     114.0      16.0
     115.0       1.2
     116.0       5.6
     125.0       3.8
     126.0      90.9
     127.0       8.3
     128.0      29.8
     129.0       2.6
     137.0       5.1
     142.0       2.8
     143.0       1.0
     144.0       1.8
     172.0     100.0
     173.0       8.3
     174.0      33.1
     175.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₅ Cl N₂ O₂	0.038 g : 0.5 ml DMSO-d₆
4-chloro-3-nitroaniline

    Assign.     Shift(ppm)

      A             7.321
      B             7.145
      C             6.848
      D             5.94

     Hz     ppm     Int.

   2929.93   7.332    436
   2921.75   7.311    463
   2855.59   7.146    677
   2740.36   6.857    414
   2732.91   6.839    393
   2375.73   5.945   1000

in DMSO-d6

in CDCl3