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96-45-7

乙烯硫脲(96-45-7)質(zhì)譜(MS)

產(chǎn)品名稱:乙烯硫脲

CAS:96-45-7

分子式:C3H6N2S

分子量: 102.16

InChI:InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)

InChIKey: PDQAZBWRQCGBEV-UHFFFAOYSA-N

Smiles:C1(=S)NCCN1

  • 圖譜
    Mass 

    MS-NW-1542          
2-imidazolidinethione
C3H6N2S             (Mass of molecular ion:    102)


       Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Direct, 75 eV


          15.0       2.4
      18.0       1.7
      27.0       1.8
      28.0      11.3
      29.0       1.7
      30.0      39.6
      32.0       1.4
      40.0       1.9
      41.0       4.6
      42.0       9.8
      43.0      10.9
      44.0       1.5
      45.0      11.0
      46.0       3.7
      47.0       1.8
      51.0       2.0
      59.0       2.3
      60.0       2.8
      70.0       1.4
      72.0       8.6
      73.0      14.0
      74.0       5.2
      75.0       1.2
     101.0       3.0
     102.0     100.0
     103.0       5.1
     104.0       4.6

parameter in DMSO-d6

  • 圖譜

    1H NMR 300 MHz
    C3 H6 N2 S 0.039 g : 0.5 ml DMSO-d6
    2-imidazolidinethione
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         7.94
     
      D(B)         3.505
  

         Hz     ppm     Int.


       2382.01   7.940     53
   1051.50   3.505   1000

DMSO-d6

  • 圖譜

KBr disc

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nujol mull

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