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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

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    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

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

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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