73033-58-6

5-氯-2-硝基苯甲醇(73033-58-6)质谱(MS)

产品名称:5-氯-2-硝基苯甲醇

CAS:73033-58-6

分子式:C7H6ClNO3

分子量: 187.58

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

InChIKey: ULYZTHQGJXPEFT-UHFFFAOYSA-N

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

Mass

MS-NW-7884          
5-chloro-2-nitrobenzyl alcohol
C7H6ClNO3           (Mass of molecular ion:    187)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.2
      26.0       1.2
      27.0       6.8
      28.0       7.1
      29.0      13.4
      30.0      11.4
      31.0      10.9
      36.0       1.6
      37.0       3.0
      38.0       7.0
      39.0      15.9
      40.0       1.3
      45.0       2.1
      47.0       6.5
      49.0       2.3
      50.0      27.4
      51.0      58.4
      52.0      11.6
      53.0       4.1
      55.0       2.9
      61.0       5.5
      62.0      11.8
      63.0      27.9
      64.0       4.9
      65.0      18.7
      66.0       2.7
      72.0       1.1
      73.0      12.0
      74.0      21.0
      75.0      75.5
      76.0      17.1
      77.0      75.2
      78.0     100.0
      79.0       8.2
      80.0       1.8
      84.0       3.2
      85.0       7.4
      86.0       5.6
      87.0       6.9
      88.0       2.7
      89.0      13.1
      90.0      35.2
      91.0       5.5
      92.0       1.1
      93.0       4.9
      94.0       9.3
      97.0       1.8
      98.0      18.5
      99.0      17.4
     100.0       7.8
     101.0       6.2
     104.0       1.2
     105.0       3.3
     106.0       4.7
     109.0       1.2
     110.0       8.9
     111.0      61.0
     112.0      17.7
     113.0      92.8
     114.0      12.9
     115.0      25.4
     116.0       2.8
     123.0       2.2
     124.0       8.6
     125.0      69.3
     126.0      15.6
     127.0      24.6
     128.0       5.6
     129.0       1.2
     134.0       1.5
     138.0       5.6
     139.0      24.3
     140.0       5.4
     141.0      14.6
     142.0       4.2
     143.0       3.0
     144.0       1.1
     153.0       2.4
     154.0       2.4
     155.0       3.0
     156.0       1.2
     157.0       1.0
     169.0       6.5
     170.0       1.8
     171.0       2.5
     187.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl N O₃	0.041 g : 0.5 ml CDCl₃
5-chloro-2-nitrobenzyl alcohol

    Assign.     Shift(ppm)

      A             8.070
      B             7.806
      C             7.425
      D             5.010
      E             2.58
     
     J(A,C)=8.7HZ. J(B,C)=2.3HZ.

     Hz     ppm     Int.

    727.81   8.127    332
    719.06   8.029    442
    700.25   7.819    287
    698.06   7.795    312
    669.94   7.481    228
    667.56   7.454    197
    661.19   7.383    174
    658.88   7.357    152
    448.75   5.011   1000
    231.38   2.584    223

in CDCl3