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返回ChemicalBook首页>CAS数据库列表>6627-53-8更多图谱> 5-氯-2-硝基苯甲醚(5-氯-2-硝基茴香醚)(6627-53-8)核磁图(1HNMR)

6627-53-8

5-氯-2-硝基苯甲醚(5-氯-2-硝基茴香醚)(6627-53-8)核磁图(1HNMR)

分子式:C7H6ClNO3

分子量: 187.58

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

InChIKey: ABEUJUYEUCCZQF-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(Cl)C=C1OC

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    Mass

    MS-NW-6851          
    5-chloro-2-nitroanisole
    C7H6ClNO3           (Mass of molecular ion:    187)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       5.6
          18.0       2.2
          26.0       1.3
          27.0       1.6
          28.0       5.4
          29.0       3.7
          30.0      10.8
          31.0       7.9
          36.0       1.9
          37.0       6.1
          38.0       6.7
          39.0       5.0
          44.0       1.3
          46.0       1.2
          49.0       2.7
          50.0      13.0
          51.0      13.4
          52.0       2.6
          53.0       6.2
          55.0       1.0
          59.0       1.1
          60.0       2.5
          61.0       8.0
          62.0      17.0
          63.0      57.9
          64.0       4.6
          65.0      14.3
          66.0       2.1
          72.0       2.3
          73.0       7.2
          74.0      12.1
          75.0      42.2
          76.0      14.9
          77.0      12.5
          78.0      11.2
          79.0      10.3
          80.0       1.1
          84.0       2.3
          85.0       4.1
          86.0       3.9
          87.0       2.4
          88.0       1.6
          90.0       1.2
          91.0       2.9
          92.0       1.1
          93.0      11.1
          94.0       8.2
          97.0       2.5
          98.0      21.5
          99.0      18.1
         100.0       8.1
         101.0       6.3
         110.0       4.2
         111.0      55.0
         112.0      16.9
         113.0      23.6
         114.0      12.4
         115.0       2.7
         116.0       2.5
         125.0       1.2
         126.0      50.4
         127.0      13.4
         128.0      18.8
         129.0      26.3
         130.0       3.0
         131.0       7.6
         132.0       1.0
         136.0       1.0
         139.0       1.6
         140.0     100.0
         141.0       7.7
         142.0      35.2
         143.0       3.0
         144.0       1.0
         153.0       1.0
         157.0      34.3
         158.0       6.3
         159.0      11.3
         160.0       2.0
         170.0       1.2
         171.0       1.2
         183.0       1.2
         187.0      72.6
         188.0       6.3
         189.0      24.7
         190.0       2.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 Cl N O3 0.040 g : 0.5 ml CDCl3
    5-chloro-2-nitroanisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.841 B 7.090 C 7.019 D 3.974

         Hz     ppm     Int.
    

       3138.31   7.853    179
       3129.64   7.831    187
       2834.72   7.094    205
       2833.01   7.089    218
       2810.18   7.032    126
       2808.59   7.028    115
       2801.39   7.010    119
       2799.80   7.006    108
       1588.26   3.975   1000
       1579.96   3.954     39
    

in CDCl3

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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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