7203-96-5

Ε-硫代己内酰胺(7203-96-5)红外图谱(IR1)

产品名称:Ε-硫代己内酰胺

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

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

¹H NMR	399.65 MHz
C₆ H₁₁ N S	0.051 g : 0.5 ml CDCl₃
epsilon-thiocaprolactam

    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