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网站主页CAS数据库列表 1072-32-8更多图谱1-异硫代氰酸十二烷酯(1072-32-8)核磁图(1HNMR)

1-异硫代氰酸十二烷酯

产品名称 1-异硫代氰酸十二烷酯

CAS号1072-32-8

分子式C13H25NS

分子量227.41

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  • Mass

    MS-IW-1787          
    dodecyl isothiocyanate
    C13H25NS            (Mass of molecular ion:    227)
    

       Source Temperature: 250 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       8.0
          28.0       3.4
          29.0      17.8
          30.0       2.4
          39.0       6.5
          40.0       1.3
          41.0      44.4
          42.0       9.4
          43.0      49.6
          44.0       2.7
          45.0       1.1
          53.0       2.9
          54.0       4.1
          55.0      46.3
          56.0      13.6
          57.0      29.1
          58.0       1.6
          59.0       1.1
          60.0       2.1
          67.0       4.7
          68.0       3.6
          69.0      24.1
          70.0       9.7
          71.0       8.8
          72.0      15.3
          73.0       1.3
          74.0       3.0
          75.0       2.6
          81.0       2.9
          82.0       6.5
          83.0       9.7
          84.0       3.4
          85.0       3.2
          86.0       2.1
          95.0       2.1
          96.0      14.6
          97.0       5.4
          98.0       1.5
         100.0       4.3
         101.0      12.0
         102.0       1.3
         109.0       1.1
         110.0       6.0
         111.0       1.8
         112.0       1.3
         114.0       9.5
         115.0     100.0
         116.0       7.7
         117.0       4.8
         124.0       2.4
         128.0      13.5
         129.0      15.2
         130.0       1.9
         138.0       1.7
         142.0       3.3
         152.0       1.3
         156.0       1.6
         166.0       1.4
         184.0       1.0
         194.0      85.4
         195.0      12.4
         226.0       1.7
         227.0       1.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H25 N S 0.05 ml : 0.5 ml CDCl3
    dodecyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.507 B 1.692 C 1.40 D 1.30 E 1.27 F 0.880

         Hz     ppm     Int.
    

       1408.20   3.524    215
       1401.61   3.508    409
       1394.90   3.491    220
        691.16   1.730     39
        684.45   1.713    114
        677.49   1.696    134
        669.56   1.676    122
        662.84   1.659     55
        569.34   1.425     64
        562.26   1.407     85
        554.81   1.389     70
        547.97   1.372     34
        520.26   1.302    263
        515.26   1.290    346
        505.98   1.267   1000
        359.01   0.899    173
        352.29   0.882    473
        345.34   0.865    206
    

in CDCl3



liquid film