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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>57500-34-2更多圖譜> 1,3-二亞胺基異吲哚(57500-34-2)紅外圖譜(IR2)

57500-34-2

1,3-二亞胺基異吲哚(57500-34-2)紅外圖譜(IR2)

產(chǎn)品名稱:1,3-二亞胺基異吲哚

CAS:57500-34-2

分子式:C8H7N3

分子量: 145.16

InChI:InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)

InChIKey: RZVCEPSDYHAHLX-UHFFFAOYSA-N

Smiles:C1(=N)C2=C(C=CC=C2)C(=N)N1

  • 圖譜
    Mass

    MS-NW-7888          
    isoindoline-1,3-diimine
    C8H7N3              (Mass of molecular ion:    145)
    

       Source Temperature: 160 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       1.1
          18.0       4.6
          27.0       1.0
          28.0       2.6
          37.0       1.4
          38.0       1.7
          39.0       2.4
          43.0      13.2
          50.0      10.5
          51.0       5.5
          52.0       3.0
          62.0       1.5
          63.0       2.5
          64.0       2.3
          65.0       7.8
          72.5       4.9
          73.0       1.4
          74.0       4.5
          75.0       9.7
          76.0      25.8
          77.0       3.9
          90.0       3.9
          91.0       2.3
         101.0       1.9
         102.0      16.5
         103.0      31.0
         104.0       6.8
         117.0       3.3
         118.0       9.6
         119.0       1.0
         128.0       9.5
         129.0      64.3
         130.0       6.5
         144.0       2.3
         145.0     100.0
         146.0      13.2
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H7 N3 0.039 g : 0.5 ml DMSO-d6
    isoindoline-1,3-diimine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.7 B 7.886 C 7.597

         Hz     ppm     Int.
    

       3463.44   8.667     42
       3161.32   7.911     61
       3159.79   7.907     91
       3156.13   7.898    858
       3153.08   7.890    820
       3150.63   7.884    801
       3147.58   7.876   1000
       3143.92   7.867    110
       3142.55   7.864     91
       3045.50   7.621     81
       3044.28   7.618    113
       3040.47   7.608    985
       3037.57   7.601    793
       3034.97   7.595    790
       3032.07   7.587    882
       3028.41   7.578     93
       3026.89   7.574     72
    

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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