57500-34-2

1,3-二亚胺基异吲哚(57500-34-2)红外图谱(IR1)

产品名称:1,3-二亚胺基异吲哚

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

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

¹H NMR	399.65 MHz
C₈ H₇ N₃	0.039 g : 0.5 ml DMSO-d₆
isoindoline-1,3-diimine

    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