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141-90-2

2-硫脲嘧啶(141-90-2)红外图谱(IR2)

产品名称:2-硫脲嘧啶

CAS:141-90-2

分子式:C4H4N2OS

分子量: 128.15

InChI:InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChIKey: ZEMGGZBWXRYJHK-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0642          
    2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
    C4H4N2OS            (Mass of molecular ion:    128)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          14.0       1.2
          18.0       3.2
          26.0       2.6
          27.0       1.2
          28.0      20.6
          32.0       2.7
          38.0       1.2
          39.0       2.2
          40.0      11.5
          41.0      13.6
          42.0      25.5
          43.0       2.2
          44.0       1.4
          45.0       2.3
          46.0       1.5
          50.0       1.4
          52.0       1.0
          53.0       3.3
          58.0       2.5
          59.0       6.1
          60.0       4.3
          64.0       1.3
          67.0       1.8
          68.0      10.1
          69.0      31.7
          70.0      20.0
          72.0       2.3
          73.0       2.2
          95.0       5.0
          96.0       1.3
         100.0       2.9
         128.0     100.0
         129.0       6.1
         130.0       5.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H4 N2 O S 0.037 g : 0.5 ml DMSO-d6
    2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.4 B 7.426 C 5.845 J(B,C)=7.7HZ

         Hz     ppm     Int.
    

       4964.09  12.422     52
       2975.98   7.447     23
       2971.92   7.437    906
       2964.23   7.418    982
       2959.95   7.407     24
       2339.84   5.855   1000
       2332.15   5.836    950
    

in DMSO-d6

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KBr disc

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nujol mull

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