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返回ChemicalBook首页>CAS数据库列表>2719-32-6更多图谱> 4-氰基苯基异硫氰酸酯(2719-32-6)核磁图(13CNMR)

2719-32-6

4-氰基苯基异硫氰酸酯(2719-32-6)核磁图(13CNMR)

分子式:C8H4N2S

分子量: 160.2

InChI:InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H

InChIKey: DZFKAXLNKZXNHD-UHFFFAOYSA-N

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

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    Mass

    MS-IW-3915          
    p-cyanophenyl isothiocyanate
    C8H4N2S             (Mass of molecular ion:    160)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.0
          37.0       1.5
          38.0       1.3
          45.0       1.0
          50.0       4.5
          51.0       5.8
          52.0       1.6
          62.0       1.6
          63.0       1.8
          64.0       2.0
          66.5       1.7
          70.0       1.7
          74.0       2.2
          75.0      10.9
          76.0       6.6
          80.0       4.1
          88.0       1.2
          89.0       1.2
         101.0       1.3
         102.0      38.0
         103.0       3.1
         116.0       4.6
         128.0       1.0
         133.0       3.9
         160.0     100.0
         161.0      10.4
         162.0       5.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H4 N2 S 0.031 g : 0.5 ml CDCl3
    p-cyanophenyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.666 B 7.312

         Hz     ppm     Int.
    

       3070.31   7.683    134
       3068.24   7.678    843
       3067.75   7.677    612
       3066.16   7.673    310
       3063.84   7.667     45
       3061.52   7.661    322
       3059.45   7.656   1000
       3057.37   7.651    167
       3055.05   7.645     31
       2928.83   7.329    139
       2928.22   7.327     99
       2926.76   7.324    919
       2926.27   7.323    675
       2924.68   7.319    315
       2922.36   7.313     47
       2919.92   7.307    285
       2917.85   7.302    833
       2915.77   7.296    131
       2913.45   7.291     24
    

in CDCl3

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KBr disc

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nujol mull

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