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返回ChemicalBook首頁>CAS數(shù)據(jù)庫(kù)列表>7203-96-5更多圖譜> Ε-硫代己內(nèi)酰胺(7203-96-5)質(zhì)譜(MS)

7203-96-5

Ε-硫代己內(nèi)酰胺(7203-96-5)質(zhì)譜(MS)

產(chǎn)品名稱:Ε-硫代己內(nèi)酰胺

CAS:7203-96-5

分子式:C6H11NS

分子量: 129.22

InChI:InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)

InChIKey: APLHDUWNMGJBFD-UHFFFAOYSA-N

Smiles:N1CCCCCC1=S

  • 圖譜
    Mass

    MS-IW-2199          
    epsilon-thiocaprolactam
    C6H11NS             (Mass of molecular ion:    129)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       5.5
          28.0       4.9
          29.0       3.3
          30.0      10.4
          39.0       9.0
          40.0       2.1
          41.0      22.3
          42.0      14.9
          43.0       7.6
          44.0       6.2
          45.0       5.7
          46.0       1.6
          47.0       1.1
          53.0       2.3
          54.0       9.8
          55.0      10.8
          56.0       3.7
          58.0       7.5
          59.0       5.3
          60.0       6.5
          65.0       1.8
          66.0       1.0
          67.0       8.0
          68.0       9.6
          69.0       7.9
          70.0       2.7
          71.0      12.0
          72.0       8.8
          73.0       2.6
          74.0       3.0
          75.0       2.1
          79.0       1.2
          80.0       1.0
          81.0       1.4
          84.0       1.3
          85.0       2.8
          86.0       3.3
          87.0       1.4
          88.0       1.9
          94.0       3.2
          95.0       1.1
          96.0      20.8
          97.0       2.2
          99.0       1.9
         100.0      26.9
         101.0      22.4
         102.0       2.5
         103.0       1.0
         111.0       1.2
         114.0      23.8
         115.0       1.6
         116.0       1.1
         128.0      16.8
         129.0     100.0
         130.0       8.5
         131.0       4.7
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C6 H11 N S 0.051 g : 0.5 ml CDCl3
    epsilon-thiocaprolactam
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.56 B 3.384 C 2.984 D 1.792 E 1.72 F 1.65

         Hz     ppm     Int.
    

       3822.94   9.566    105
       3822.48   9.565    105
       3821.87   9.564    105
       3821.56   9.563    105
       3821.26   9.562    105
       3820.65   9.560    104
       1360.78   3.405    648
       1354.83   3.391    907
       1350.56   3.380    905
       1344.60   3.365    680
       1338.65   3.350     39
       1197.97   2.998   1000
       1192.17   2.984    621
       1186.83   2.970    902
        729.98   1.827    101
        728.61   1.824    124
        724.33   1.813    295
        723.11   1.810    312
        717.62   1.796    636
        712.28   1.783    574
        708.77   1.774    324
        706.63   1.769    332
        696.11   1.742    348
        695.34   1.740    341
        691.07   1.730    517
        685.27   1.715    680
        680.24   1.703    394
        674.29   1.688    215
        670.93   1.679    310
        669.56   1.676    292
        665.13   1.665    513
        662.38   1.658    427
        660.25   1.653    625
        657.96   1.647    454
        655.06   1.640    466
        650.63   1.628    220
        649.26   1.625    239
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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