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返回ChemicalBook首页>CAS数据库列表>1005-38-5更多图谱> 4-氨基-6-氯-2-甲硫基嘧啶(1005-38-5)红外图谱(IR2)

1005-38-5

4-氨基-6-氯-2-甲硫基嘧啶(1005-38-5)红外图谱(IR2)

分子式:C5H6ClN3S

分子量: 175.64

InChI:InChI=1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)

InChIKey: ISUXMAHVLFRZQU-UHFFFAOYSA-N

Smiles:C1(SC)=NC(Cl)=CC(N)=N1

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    Mass

    MS-NW-6270          
    4-amino-6-chloro-2-(methylthio)pyrimidine
    C5H6ClN3S           (Mass of molecular ion:    175)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.8
          17.0       1.3
          18.0       5.4
          27.0       1.5
          28.0       4.9
          29.0       1.0
          38.0       2.3
          39.0       4.8
          40.0      10.9
          41.0       4.9
          42.0       3.1
          43.0       8.5
          44.0       2.6
          45.0       7.4
          46.0       5.1
          47.0       5.9
          50.0       1.7
          51.0       2.9
          52.0       2.8
          53.0       1.9
          57.0       1.1
          58.0       1.5
          59.0       2.2
          60.0       3.0
          62.0       3.1
          63.0       1.0
          64.0       1.2
          65.0       4.4
          66.0      10.1
          67.0      35.4
          68.0       4.2
          69.0       2.3
          70.0       1.4
          72.0       1.9
          73.0       2.7
          74.0      12.7
          75.0       1.6
          76.0       2.6
          77.0       1.9
          79.0       1.3
          83.0       1.9
          85.0       1.3
          86.0       2.8
          87.0       2.2
          88.0       1.6
          89.0       1.2
          91.0       7.2
          92.0       8.6
          93.0       1.2
          94.0      60.3
          95.0       3.7
          98.0       1.3
         102.0       5.4
         103.0       5.3
         104.0       3.6
         105.0       2.3
         106.0       1.6
         109.0       1.1
         113.0       3.1
         115.0       2.0
         119.0       1.0
         121.0       1.6
         125.0       1.8
         126.0       1.9
         128.0       2.1
         129.0      66.4
         130.0       7.1
         131.0      21.5
         132.0       2.5
         133.0       1.1
         139.0       1.4
         140.0       2.9
         141.0       1.9
         147.0       6.2
         149.0       4.6
         154.0       1.3
         165.0       1.0
         166.0       1.7
         167.0       5.8
         168.0       1.1
         174.0      22.8
         175.0     100.0
         176.0      15.6
         177.0      45.7
         178.0       4.3
         179.0       1.8
         187.0       5.0
         191.0       1.6
         192.0       2.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H6 Cl N3 S 0.038 g : 0.5 ml DMSO-d6
    4-amino-6-chloro-2-(methylthio)pyrimidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.29 B 6.191 C 2.419

         Hz     ppm     Int.
    

       2914.06   7.292    157
       2474.37   6.192    394
        969.48   2.426    130
        967.04   2.420   1000
        963.99   2.413    124
    

in DMSO-d6

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KBr disc

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nujol mull

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