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367-30-6

2,5-二氟苯胺(367-30-6)质谱(MS)

产品名称:2,5-二氟苯胺

CAS:367-30-6

分子式:C6H5F2N

分子量: 129.11

InChI:InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

InChIKey: YNOOQIUSYGWMSS-UHFFFAOYSA-N

Smiles:C1(N)=CC(F)=CC=C1F

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    Mass

    MS-NW-7068          
    2,5-difluoroaniline
    C6H5F2N             (Mass of molecular ion:    129)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       4.4
          31.0       4.7
          37.0       1.8
          38.0       2.0
          39.0       1.4
          41.0       1.5
          50.0       2.1
          51.0       5.1
          52.0       4.7
          56.0       2.6
          57.0       6.1
          58.0       1.1
          61.0       1.9
          62.0       3.6
          63.0       4.4
          64.0       1.1
          64.5       5.6
          65.0       1.8
          70.0       1.7
          72.0       1.5
          75.0       4.1
          76.0       2.2
          78.0       1.3
          80.0       1.0
          81.0       5.6
          82.0      24.0
          83.0       4.4
          89.0       4.2
          90.0       1.1
          98.0       1.3
          99.0       1.3
         100.0       1.3
         101.0      23.9
         102.0      19.1
         103.0       1.8
         108.0       3.4
         109.0      10.5
         110.0       1.3
         112.0       1.1
         128.0       3.5
         129.0     100.0
         130.0       7.2
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H5 F2 N 0.04 ml : 0.5 ml CDCl3
    2,5-difluoroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.885 B 6.46 C 6.35 D 3.7 J(A,B)=0.4HZ J(A,C)=8.8HZ 3J(A,F-19)=10.6HZ 4J(A,F-19)=5.1HZ J(B,C)=3.0HZ 3J(B,F-19)=9.6HZ 4J(B,F-19)=7.1HZ 3J(C,F-19)=8.1HZ 4J(C,F-19)=3.6HZ B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        629.69   7.031    269
        629.25   7.027    261
        627.94   7.012     41
        627.31   7.005     43
        626.94   7.001     42
        626.50   6.996     42
        626.19   6.992     44
        624.63   6.975    284
        624.19   6.970    268
        623.25   6.960     63
        622.81   6.955     59
        620.81   6.932    383
        620.44   6.928    385
        619.13   6.914    289
        618.63   6.908    284
        617.25   6.893     88
        615.88   6.877    388
        615.44   6.872    382
        614.13   6.858    288
        613.50   6.851    269
        611.75   6.831     73
        610.44   6.816    368
        609.94   6.811    365
        607.81   6.787     56
        607.44   6.783     58
        606.94   6.777     60
        605.50   6.761    335
        604.88   6.754    346
        602.94   6.733     41
        589.06   6.578    236
        588.63   6.573    260
        586.00   6.544    405
        585.63   6.539    367
        584.13   6.523     69
        582.00   6.499    214
        581.50   6.493    279
        579.06   6.466   1000
        576.44   6.437    556
        576.06   6.433    640
        575.38   6.425    515
        572.44   6.392    371
        571.88   6.386    346
        571.00   6.376    490
        570.25   6.368    402
        569.50   6.359    543
        568.88   6.352    442
        567.94   6.342    365
        567.25   6.334    711
        566.69   6.328    383
        565.63   6.316    117
        564.25   6.301    223
        563.69   6.294    231
        562.19   6.278    292
        561.13   6.266     72
        560.81   6.262     70
        559.19   6.244    240
        558.63   6.238    291
        557.06   6.220     53
        556.56   6.215     55
        555.63   6.204    176
        553.56   6.181     37
        331.94   3.707    302
    

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    1H NMR 399.65 MHz
    C6 H5 F2 N 0.05 ml : 0.5 ml CDCl3
    2,5-difluoroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.878 B 6.444 C 6.333 E 3.82

         Hz     ppm     Int.
    

       2761.35   6.910    604
       2756.35   6.897    625
       2752.44   6.888    701
       2750.85   6.884    644
       2747.44   6.875    711
       2745.73   6.871    646
       2741.82   6.861    665
       2736.82   6.849    660
       2585.69   6.470    621
       2582.64   6.463    707
       2578.49   6.452    652
       2575.68   6.445   1000
       2572.88   6.438    718
       2568.73   6.428    625
       2565.67   6.420    693
       2543.09   6.364    451
       2540.04   6.356    596
       2536.62   6.348    423
       2535.03   6.344    530
       2534.18   6.341    505
       2531.49   6.335    817
       2528.44   6.327    484
       2527.71   6.325    429
       2526.12   6.321    432
       2522.95   6.313    544
       2519.53   6.305    361
       1527.59   3.823    419
    

in CDCl3

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liquid film

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