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333-49-3

4-氨基-2-巰基嘧啶(333-49-3)Raman光譜

產(chǎn)品名稱:4-氨基-2-巰基嘧啶

CAS:333-49-3

分子式:C4H5N3S

分子量: 127.17

InChI:InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

InChIKey: DCPSTSVLRXOYGS-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-6836          
4-amino-2-pyrimidinethiol
C4H5N3S             (Mass of molecular ion:    127)


       Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV


          15.0       1.3
      17.0       1.0
      18.0       4.6
      26.0       1.7
      27.0       2.3
      28.0      11.3
      32.0       2.4
      33.0       1.6
      38.0       2.5
      39.0       4.0
      40.0      16.6
      41.0      20.9
      42.0      17.9
      43.0       7.6
      44.0       1.7
      45.0       2.9
      51.0       1.9
      52.0       8.1
      53.0       3.8
      55.0       3.5
      57.0       3.2
      58.0       3.6
      59.0       5.1
      60.0       5.3
      66.0       5.5
      67.0      18.1
      68.0       5.2
      69.0      86.2
      70.0       3.7
      72.0       4.6
      83.0       4.1
      84.0       3.5
      85.0       2.3
      94.0       3.6
      99.0       8.4
     100.0       1.3
     111.0       5.5
     126.0       1.3
     127.0     100.0
     128.0       6.7
     129.0       4.9

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C4 H5 N3 S 0.028 g : 0.5 ml DMSO-d6
    4-amino-2-pyrimidinethiol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            12.0
      B     *1      7.82
      C     *1      7.60
      D             7.467
      E             5.964
  

         Hz     ppm     Int.


       4819.11  12.059    122
   3127.20   7.825    144
   3035.98   7.597    229
   2988.18   7.477    683
   2981.03   7.460    710
   2387.21   5.974    983
   2380.07   5.956   1000

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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