22996-18-5

4-氯-2-硝基苯甲醇(22996-18-5)质谱(MS)

产品名称:4-氯-2-硝基苯甲醇

CAS:22996-18-5

分子式:C7H6ClNO3

分子量: 187.58

InChI:InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2

InChIKey: OAHGNOHGHOTZQU-UHFFFAOYSA-N

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

Mass

MS-NW-7883          
4-chloro-2-nitrobenzyl alcohol
C7H6ClNO3           (Mass of molecular ion:    187)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       2.4
      18.0      10.1
      26.0       1.5
      27.0       6.6
      28.0       7.7
      29.0      13.2
      30.0      13.0
      31.0      10.7
      36.0       1.2
      37.0       4.2
      38.0       7.6
      39.0      14.7
      40.0       1.3
      43.0       1.4
      45.0       1.7
      47.0       5.7
      49.0       3.0
      50.0      25.7
      51.0      59.6
      52.0      11.4
      53.0       4.0
      55.0       2.3
      60.0       1.3
      61.0       5.9
      62.0      10.4
      63.0      23.8
      64.0       4.6
      65.0      15.8
      66.0       2.3
      72.0       1.3
      73.0      11.8
      74.0      19.6
      75.0      74.7
      76.0      16.5
      77.0      83.7
      78.0     100.0
      79.0       7.9
      84.0       4.0
      85.0       7.3
      86.0       5.9
      87.0       6.8
      88.0       2.9
      89.0      13.1
      90.0      32.5
      91.0       4.7
      92.0       1.2
      93.0       8.0
      94.0      10.1
      95.0       1.1
      97.0       1.8
      98.0      17.0
      99.0      15.0
     100.0       6.9
     101.0       5.6
     105.0       2.7
     106.0       2.7
     109.0       1.2
     110.0       9.3
     111.0      78.5
     112.0      25.6
     113.0      97.7
     114.0      14.5
     115.0      24.5
     116.0       2.8
     123.0       1.7
     124.0       4.6
     125.0      28.3
     126.0      12.8
     127.0      12.9
     128.0       5.6
     129.0       1.7
     138.0       9.2
     139.0      55.2
     140.0      10.9
     141.0      22.0
     142.0       7.6
     143.0       2.0
     144.0       2.0
     153.0       3.1
     154.0       4.3
     155.0       6.0
     156.0       1.9
     157.0       2.2
     158.0       1.1
     169.0      48.2
     170.0       5.1
     171.0      15.4
     172.0       1.6
     201.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl N O₃	0.048 g : 0.5 ml CDCl₃
4-chloro-2-nitrobenzyl alcohol

    Assign.     Shift(ppm)

      A             8.066
      B             7.71
      C             7.641
      D             4.956
      E             2.89

     Hz     ppm     Int.

    723.25   8.076    282
    721.56   8.057    291
    697.81   7.792     77
    697.31   7.786     75
    689.44   7.699    399
    689.00   7.694    387
    686.75   7.669    398
    684.81   7.647    329
    678.38   7.575     72
    676.44   7.553     71
    443.94   4.957   1000
    258.94   2.892    394

in CDCl3