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95-54-5

鄰苯二胺(95-54-5)質(zhì)譜(MS)

產(chǎn)品名稱:鄰苯二胺

CAS:95-54-5

分子式:C6H8N2

分子量: 108.14

InChI:InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2

InChIKey: GEYOCULIXLDCMW-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC=C1N

  • 圖譜
    Mass

    MS-NW-1719          
    o-phenylenediamine
    C6H8N2              (Mass of molecular ion:    108)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.0
          26.0       1.0
          27.0       3.5
          28.0       8.8
          29.0       1.0
          30.0       1.0
          37.0       1.2
          38.0       2.8
          39.0       5.5
          40.0       1.7
          41.0       4.1
          42.0       1.7
          43.0       1.2
          50.0       2.9
          51.0       5.4
          52.0       9.6
          53.0      12.6
          54.0       9.4
          55.0       1.1
          62.0       1.0
          63.0       4.1
          64.0       4.0
          65.0       3.2
          66.0       1.5
          67.0       2.4
          76.0       1.1
          78.0       2.2
          79.0       1.9
          80.0      48.0
          81.0      17.0
          82.0       1.5
          90.0       1.4
          91.0       4.1
         105.0       1.1
         107.0      20.6
         108.0     100.0
         109.0       7.3
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C6 H8 N2 0.040 g : 0.5 ml DMSO-d6
    o-phenylenediamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.504 B 6.382 C 4.36

         Hz     ppm     Int.
    

       2608.76   6.528     51
       2608.03   6.526     66
       2604.49   6.517    637
       2601.07   6.509    705
       2598.75   6.503    599
       2595.34   6.495    862
       2591.55   6.485    144
       2559.08   6.404    145
       2555.30   6.394    850
       2551.64   6.385    594
       2549.56   6.380    696
       2546.02   6.371    632
       2542.60   6.363     69
       2541.87   6.361     68
       1744.26   4.365   1000
    

in DMSO-d6

in CDCl3

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KBr disc

  • 圖譜

liquid film

  • 圖譜

nujol mull

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