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446-35-5

2,4-二氟硝基苯(446-35-5)核磁图(13CNMR)

产品名称:2,4-二氟硝基苯

CAS:446-35-5

分子式:C6H3F2NO2

分子量: 159.09

InChI:InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

InChIKey: RJXOVESYJFXCGI-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(F)C=C1F

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    Mass

    MS-IW-1299          
    2,4-difluoro-1-nitrobenzene
    C6H3F2NO2           (Mass of molecular ion:    159)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       2.2
          30.0      23.6
          31.0       5.4
          37.0       2.3
          38.0       1.3
          46.0       1.1
          49.0       1.0
          50.0       5.7
          51.0       5.7
          56.0       2.1
          57.0       6.1
          61.0       4.2
          62.0       9.6
          63.0      68.0
          64.0       4.0
          68.0       6.7
          69.0       4.1
          73.0       1.5
          74.0       5.1
          75.0       7.8
          76.0       1.0
          80.0       1.1
          81.0       5.2
          82.0       1.1
          87.0       2.6
          92.0       2.4
          93.0       9.0
          94.0       2.8
         100.0       1.6
         101.0      36.7
         102.0       2.1
         112.0       6.3
         113.0      69.5
         114.0       4.9
         129.0      43.2
         130.0       2.9
         143.0       7.9
         159.0     100.0
         160.0       7.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 F2 N O2 0.05 ml : 0.5 ml CDCl3
    2,4-difluoro-1-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.191 B 7.11 C 7.08

         Hz     ppm     Int.
    

       3287.35   8.226    343
       3283.94   8.218    110
       3281.62   8.212    397
       3278.32   8.203    479
       3277.71   8.202    486
       3272.71   8.189    474
       3271.97   8.188    457
       3269.29   8.181    400
       3263.55   8.167    383
       2847.66   7.126    291
       2846.56   7.123    177
       2845.09   7.119    466
       2843.87   7.116    637
       2843.26   7.115    532
       2842.77   7.114    676
       2840.45   7.108    683
       2839.23   7.105    303
       2838.62   7.103    382
       2837.77   7.101    538
       2836.55   7.098   1000
       2835.94   7.097    809
       2834.59   7.093    688
       2832.28   7.087    942
       2831.91   7.086    934
       2829.22   7.080    802
       2828.61   7.078    700
       2826.54   7.073    242
       2823.61   7.066    589
       2821.41   7.060    344
       2820.92   7.059    356
    

in CDCl3

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liquid film

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