13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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1450-85-7

2-巰基哌啶(1450-85-7)核磁圖(13CNMR)

產(chǎn)品名稱:2-巰基哌啶

CAS:1450-85-7

分子式:C4H4N2S

分子量: 112.15

InChI:InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

InChIKey: HBCQSNAFLVXVAY-UHFFFAOYSA-N

Smiles:C1(=S)NC=CC=N1

  • 圖譜
    Mass 

    MS-KW-0493          
2-pyrimidinethiol
C4H4N2S             (Mass of molecular ion:    112)


       Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          26.0       4.6
      27.0       3.1
      33.0       1.2
      38.0       1.2
      39.0       1.0
      40.0       2.1
      44.0       1.6
      45.0       2.4
      51.0       3.1
      52.0      10.8
      53.0      15.2
      54.0       6.7
      56.0       2.2
      57.0       5.3
      58.0       8.4
      59.0      14.4
      60.0       5.1
      68.0      26.3
      69.0       1.1
      70.0       1.6
      79.0       5.3
      83.0       1.3
      84.0       7.5
      85.0      16.6
      86.0       5.3
     111.0      18.7
     112.0     100.0
     113.0       7.1
     114.0       4.6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C4 H4 N2 S 0.023 g : 0.5 ml DMSO-d6
    2-pyrimidinethiol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            13.9
      B             8.302
      C             6.858
     
     J(B,C)=4.3HZ
  

         Hz     ppm     Int.


       5548.52  13.884     72
   3343.51   8.367     34
   3342.45   8.364     37
   3341.81   8.362     39
   3340.95   8.360     42
   3339.45   8.356     48
   3320.22   8.308    998
   3315.95   8.298   1000
   3294.58   8.244     36
   3293.30   8.241     32
   2745.63   6.871    381
   2740.93   6.859    613
   2736.22   6.847    385

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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