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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>636-26-0更多圖譜> 4-羥基-2-巰基-5-甲基嘧啶(636-26-0)質(zhì)譜(MS)

636-26-0

4-羥基-2-巰基-5-甲基嘧啶(636-26-0)質(zhì)譜(MS)

產(chǎn)品名稱:4-羥基-2-巰基-5-甲基嘧啶

CAS:636-26-0

分子式:C5H6N2OS

分子量: 142.18

InChI:InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey: ZLAQATDNGLKIEV-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-0042          
5-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
C5H6N2OS            (Mass of molecular ion:    142)


       Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV


          18.0       5.3
      26.0       1.4
      27.0       4.3
      28.0      17.0
      29.0       1.1
      32.0       1.0
      39.0       4.1
      40.0       1.7
      41.0       1.1
      52.0       1.8
      53.0       1.7
      54.0      12.5
      55.0      32.5
      56.0       4.9
      59.0       2.7
      60.0       3.0
      72.0       1.8
      81.0       2.6
      82.0       4.0
      83.0       3.7
      84.0      19.1
      85.0       1.1
      86.0       2.4
      97.0       1.3
     109.0       2.7
     113.0       1.3
     142.0     100.0
     143.0       7.5
     144.0       5.0

90 MHz in DMSO-d6

  • 圖譜

    1H NMR 89.56 MHz
    C5 H6 N2 O S 0.040 g : 0.5 ml DMSO-d6
    5-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            12.3
      B             7.328
      C             1.792
  

         Hz     ppm     Int.


       1100.68  12.290     75
    656.93   7.336    291
    655.66   7.321    277
    166.70   1.862     28
    161.13   1.800   1000
    159.96   1.787    962

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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