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91-15-6

1,2-二氰基苯(91-15-6)核磁图(1HNMR)

产品名称:1,2-二氰基苯

CAS:91-15-6

分子式:C8H4N2

分子量: 128.13

InChI:InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H

InChIKey: XQZYPMVTSDWCCE-UHFFFAOYSA-N

Smiles:C1(C#N)=CC=CC=C1C#N

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    Mass

    MS-NW-0408          
    phthalonitrile
    C8H4N2              (Mass of molecular ion:    128)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          37.0       2.1
          38.0       1.2
          39.0       1.4
          49.0       1.2
          50.0       7.6
          51.0       3.2
          52.0       1.4
          63.0       1.3
          64.0       4.8
          74.0       2.1
          75.0       7.5
          76.0       5.5
          77.0       2.5
          88.0       1.5
          99.0       1.4
         100.0       3.0
         101.0      19.1
         102.0       2.7
         128.0     100.0
         129.0       9.4
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C8 H4 N2 0.037 g : 0.5 ml DMSO-d6
    phthalonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.142 B 7.963

         Hz     ppm     Int.
    

        740.19   8.265     36
        739.13   8.253     46
        735.63   8.214    500
        732.25   8.177    524
        730.44   8.156    433
        729.31   8.144    550
        726.63   8.114    992
        726.25   8.110    961
        724.19   8.087     81
        722.44   8.067    294
        719.75   8.037    297
        716.00   7.995   1000
        712.94   7.961    514
        711.81   7.948    424
        710.00   7.928    524
        706.50   7.889    500
        704.31   7.865     28
        703.13   7.851     46
        702.06   7.839     34
    

KBr disc

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nujol mull

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ANION RADICAL, RED. WITH ALKALI METAL IN DME-THF

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