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返回ChemicalBook首页>CAS数据库列表>3052-61-7更多图谱> 二乙基二硫代氨基羧酸苄酯(3052-61-7)核磁图(13CNMR)

3052-61-7

二乙基二硫代氨基羧酸苄酯(3052-61-7)核磁图(13CNMR)

分子式:C12H17NS2

分子量: 239.4

InChI:InChI=1S/C12H17NS2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

InChIKey: SNBMGLUIIGFNFE-UHFFFAOYSA-N

Smiles:C(=S)(SCC1=CC=CC=C1)N(CC)CC

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    Mass

    MS-IW-6652          
    benzyl diethyldithiocarbamate
    C12H17NS2           (Mass of molecular ion:    239)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.9
          27.0       3.3
          28.0       4.2
          29.0       9.2
          39.0       3.3
          41.0       1.3
          42.0       2.4
          44.0      33.0
          45.0       6.4
          51.0       2.1
          56.0       5.6
          59.0       2.0
          60.0      23.6
          61.0       3.6
          62.0       1.4
          63.0       2.1
          65.0       9.6
          70.0       1.0
          71.0       1.8
          72.0      79.1
          73.0       4.0
          77.0       6.4
          84.0       1.3
          86.0       2.8
          88.0      37.1
          89.0       4.5
          90.0       2.4
          91.0      40.5
          92.0       4.0
         116.0      31.9
         117.0       3.0
         118.0       3.3
         119.5       1.2
         121.0       2.0
         122.0       1.4
         123.0       2.1
         147.0       6.5
         148.0     100.0
         149.0       8.1
         150.0       9.0
         206.0       2.4
         239.0      55.2
         240.0       9.0
         241.0       5.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H17 N S2 0.05 ml : 0.5 ml CDCl3
    benzyl diethyldithiocarbamate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.374 B 7.300 C 7.250 D 4.536 E *1 4.028 F *1 3.707 G *2 1.274 J *2 1.257

         Hz     ppm     Int.
    

       2953.49   7.391    180
       2952.03   7.387    260
       2949.95   7.382     85
       2946.78   7.374    185
       2945.31   7.370    364
       2944.70   7.369    347
       2944.09   7.367    326
       2941.77   7.361     55
       2926.15   7.322    132
       2924.68   7.319    202
       2922.73   7.314     76
       2919.80   7.306     94
       2917.72   7.301    432
       2916.02   7.297    196
       2911.74   7.286    136
       2910.40   7.283    247
       2908.08   7.277     46
       2904.30   7.268    113
       2902.71   7.264    203
       2901.25   7.260    113
       2898.32   7.253     66
       2896.97   7.249     96
       2895.75   7.246    194
       2892.70   7.239     43
       2889.77   7.231     36
       2888.43   7.228     56
       1812.99   4.537   1000
       1620.85   4.056     59
       1613.89   4.039    161
       1606.81   4.021    164
       1599.73   4.003     65
       1492.19   3.734     60
       1485.11   3.717    159
       1477.91   3.699    161
       1470.83   3.681     62
        515.99   1.292    206
        509.16   1.275    512
        502.44   1.258    505
        495.48   1.240    196
    

in CDCl3

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liquid film

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