89-21-4

4-氯-2-硝基苯甲醚(89-21-4)核磁图(¹HNMR)

产品名称:4-氯-2-硝基苯甲醚

CAS:89-21-4

分子式:C7H6ClNO3

分子量: 187.58

InChI:InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

InChIKey: OSAYFGJUEOYRHY-UHFFFAOYSA-N

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

Mass

MS-NW-0674          
4-chloro-2-nitroanisole
C7H6ClNO3           (Mass of molecular ion:    187)

   Source Temperature: 190 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      14.0       2.3
      15.0      18.0
      26.0       2.6
      27.0       1.9
      29.0       8.9
      30.0      39.3
      31.0       5.0
      37.0      10.1
      38.0       9.6
      39.0       4.7
      46.0       9.7
      47.0       1.4
      49.0       4.2
      50.0      27.2
      51.0      21.9
      52.0       2.7
      53.0       8.1
      60.0       2.5
      61.0      14.4
      62.0      31.7
      63.0     100.0
      64.0       6.5
      65.0      14.0
      66.0       1.4
      71.0       1.4
      72.0       6.9
      73.0       9.3
      74.0      23.3
      75.0      57.2
      76.0      21.8
      77.0      18.1
      78.0       8.6
      79.0      13.2
      84.0       3.3
      85.0       5.7
      86.0       5.8
      87.0       2.4
      88.0       1.7
      91.0       1.3
      93.0       6.1
      94.0       4.4
      96.0       1.0
      97.0       5.5
      98.0      25.4
      99.0      15.5
     100.0       8.7
     101.0       4.9
     110.0       4.1
     111.0      58.0
     112.0      15.8
     113.0      26.2
     114.0       9.4
     115.0       3.0
     116.0       1.6
     126.0      59.5
     127.0      22.5
     128.0      22.7
     129.0      24.8
     130.0       2.3
     131.0       5.9
     140.0      53.1
     141.0       4.1
     142.0      18.1
     143.0       1.5
     156.0       1.2
     157.0      17.5
     158.0       2.2
     159.0       5.8
     187.0      46.2
     188.0       4.5
     189.0      15.2
     190.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl N O₃	0.046 g : 0.5 ml CDCl₃
4-chloro-2-nitroanisole

    Assign.     Shift(ppm)

      A             7.821
      B             7.495
      C             7.059
      D             3.957
     
     J(A,B)=2.5HZ. J(B,C)=9.0HZ.

     Hz     ppm     Int.

    701.81   7.837    136
    699.50   7.811    164
    699.19   7.807    161
    677.94   7.570    120
    675.38   7.542     93
    669.00   7.470    174
    666.38   7.441    154
    635.81   7.100    155
    626.81   6.999    103
    354.44   3.958   1000

in CDCl3