ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>614-69-7更多图谱> 邻甲苯异硫氰酸酯(614-69-7)核磁图(13CNMR)

614-69-7

邻甲苯异硫氰酸酯(614-69-7)核磁图(13CNMR)

分子式:C8H7NS

分子量: 149.21

InChI:InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3

InChIKey: JYKYYPPZLPVIBY-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-IW-7196          
    o-tolyl isothiocyanate
    C8H7NS              (Mass of molecular ion:    149)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.1
          38.0       1.6
          39.0       8.5
          41.0       1.4
          45.0       3.0
          50.0       3.1
          51.0       5.0
          52.0       1.5
          61.0       1.3
          61.5       1.1
          62.0       2.4
          63.0       7.6
          64.0       3.1
          65.0      12.0
          70.0       1.0
          74.0       1.1
          74.5       4.8
          75.0       1.8
          76.0       1.4
          77.0       3.5
          78.0       2.6
          89.0      12.2
          90.0       7.6
          91.0      19.5
          92.0       1.5
         104.0       4.5
         105.0       1.7
         116.0      10.5
         117.0      32.1
         118.0       2.9
         121.0      13.8
         122.0       4.1
         123.0       1.2
         148.0      31.4
         149.0     100.0
         150.0      11.1
         151.0       4.9
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C8 H7 N S 0.05 ml : 0.5 ml CDCl3
    o-tolyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.17 to 7.15 B 2.341

         Hz     ppm     Int.
    

       2874.39   7.193     33
       2872.56   7.188     39
       2871.95   7.187     45
       2871.09   7.185     62
       2870.48   7.183     84
       2866.82   7.174    138
       2866.21   7.172    130
       2865.36   7.170    138
       2864.62   7.168    151
       2864.01   7.167    148
       2862.92   7.164    160
       2862.18   7.162    167
       2857.91   7.152    385
       2855.35   7.145    528
       2852.66   7.138    637
       2849.98   7.132     85
        936.04   2.343    979
        935.55   2.341   1000
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×