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

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598-52-7

N-甲硫脲(598-52-7)核磁圖(13CNMR)

產品名稱:N-甲硫脲

CAS:598-52-7

分子式:C2H6N2S

分子量: 90.15

InChI:InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)

InChIKey: KQJQICVXLJTWQD-UHFFFAOYSA-N

Smiles:N(C)C(N)=S

  • 圖譜
    Mass 

    MS-NW-2769          
N-methylthiourea
C2H6N2S             (Mass of molecular ion:     90)


       Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV


          15.0       4.6
      18.0       2.6
      27.0       2.0
      28.0      23.0
      29.0       2.4
      30.0      50.5
      31.0       3.2
      32.0       2.8
      33.0       1.9
      34.0       1.2
      42.0       2.8
      43.0      12.0
      44.0       1.1
      45.0       2.5
      46.0       1.0
      47.0       2.7
      55.0       7.6
      56.0       4.4
      57.0      33.1
      58.0       1.7
      59.0       5.2
      60.0      27.7
      61.0       4.8
      62.0       3.7
      72.0       1.7
      73.0       1.7
      74.0       6.0
      90.0     100.0
      91.0       3.8
      92.0       4.6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C2 H6 N2 S 0.038 g : 0.5 ml DMSO-d6
    N-methylthiourea
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.59
      A             7.45
      B             7.2
      B             6.90
      C             2.82
      C             2.64
     
     RESTRICTED INTERNAL ROTATION
  

         Hz     ppm     Int.


       3031.49   7.586    195
   2978.27   7.453    282
   2873.17   7.190    104
   2756.59   6.898    466
   1127.81   2.822   1000
   1053.71   2.637    627

in DMSO-d6

D2O

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KBr disc

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nujol mull

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