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返回ChemicalBook首页>CAS数据库列表>394-25-2更多图谱> 4-甲氧基-3-硝基三氟甲基苯(394-25-2)核磁图(1HNMR)

394-25-2

4-甲氧基-3-硝基三氟甲基苯(394-25-2)核磁图(1HNMR)

分子式:C8H6F3NO3

分子量: 221.13

InChI:InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3

InChIKey: MAAFHLOZHBKYTG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8792          
    2-nitro-4-(trifluoromethyl)anisole
    C8H6F3NO3           (Mass of molecular ion:    221)
    

       Source Temperature: 270 °C
       Sample Temperature: 120 °C
       Reservoir, 75 eV
    

          15.0       2.7
          28.0       3.3
          29.0       2.0
          30.0       8.8
          31.0       7.7
          37.0       1.5
          38.0       2.4
          39.0       1.9
          50.0       7.9
          51.0       6.2
          53.0       4.2
          56.0       1.0
          57.0       4.6
          61.0       2.2
          62.0       7.3
          63.0      32.7
          64.0       2.5
          65.0       1.2
          68.0       1.2
          69.0       6.4
          70.0       1.5
          74.0       5.1
          75.0      16.3
          76.0       4.9
          77.0       3.7
          78.0       2.4
          79.0       1.8
          81.0       6.5
          82.0       3.0
          83.0       3.3
          87.0       1.5
          88.0       1.8
          93.0       1.7
          94.0       3.8
          95.0      18.4
          96.0       3.3
          99.0       2.5
         100.0       1.4
         101.0       2.9
         106.0       1.9
         107.0       3.6
         110.0       3.4
         112.0       3.7
         113.0      10.5
         114.0       2.0
         115.0       3.4
         119.0       3.2
         120.0       6.7
         123.0       1.4
         125.0      12.1
         126.0      23.0
         127.0      15.6
         128.0       1.7
         129.0       1.4
         131.0       1.5
         132.0      33.7
         133.0       9.9
         141.0      13.5
         142.0       1.7
         143.0       8.6
         144.0       4.2
         145.0      84.7
         146.0      28.1
         147.0       9.5
         148.0       6.7
         149.0       1.2
         159.0       1.2
         160.0      65.3
         161.0      46.8
         162.0       6.0
         163.0      22.3
         164.0       2.8
         174.0     100.0
         175.0       9.7
         176.0       1.7
         177.0       1.1
         188.0       1.1
         191.0      73.6
         192.0      10.7
         202.0      19.2
         203.0       1.8
         205.0       1.1
         207.0       3.4
         221.0      62.8
         222.0       6.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H6 F3 N O3 0.05 g : 0.5 ml CDCl3
    2-nitro-4-(trifluoromethyl)anisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.113 B 7.81 C 7.250 D 4.045

         Hz     ppm     Int.
    

        727.81   8.127     98
        725.63   8.103    106
        705.81   7.881     54
        705.25   7.875     52
        704.19   7.863     37
        703.50   7.856     44
        703.00   7.850     39
        697.00   7.783     71
        696.44   7.777     68
        695.50   7.766     48
        694.69   7.757     61
        694.06   7.750     52
        652.50   7.286    141
        643.75   7.188     73
        368.06   4.110     24
        362.31   4.046   1000
    

in CDCl3

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KBr disc

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liquid film

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