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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>23806-24-8更多圖譜> 3-甲基噻吩-2-羧酸(23806-24-8)紅外圖譜(IR2)

23806-24-8

3-甲基噻吩-2-羧酸(23806-24-8)紅外圖譜(IR2)

產(chǎn)品名稱:3-甲基噻吩-2-羧酸

CAS:23806-24-8

分子式:C6H6O2S

分子量: 142.18

InChI:InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)

InChIKey: IFLKEBSJTZGCJG-UHFFFAOYSA-N

Smiles:C1(C(O)=O)SC=CC=1C

  • 圖譜
    Mass

    MS-NW-7819          
    3-methyl-2-thenoic acid
    C6H6O2S             (Mass of molecular ion:    142)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       4.6
          37.0       1.4
          38.0       2.1
          39.0       5.3
          44.0       1.0
          45.0      21.7
          47.0       1.6
          48.0       2.2
          50.0       3.1
          51.0       4.6
          52.0       1.7
          53.0      17.5
          57.0       2.1
          58.0       2.7
          62.0       5.0
          63.0       1.6
          69.0       9.4
          70.0       7.1
          71.0       3.2
          81.0       1.3
          82.0       1.4
          85.0       3.0
          93.0       1.2
          95.0       2.7
          96.0      23.0
          97.0      66.5
          98.0       5.7
          99.0       3.2
         113.0       1.0
         124.0      33.4
         125.0      43.2
         126.0       4.8
         127.0       2.3
         141.0      10.7
         142.0     100.0
         143.0       8.5
         144.0       5.2
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H6 O2 S 0.032 g : 0.5 ml CDCl3
    3-methyl-2-thenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.3 B 7.476 C 6.945 D 2.574

         Hz     ppm     Int.
    

       1099.56  12.278     43
        674.62   7.533     33
        672.40   7.508    305
        667.44   7.453    363
        624.38   6.972    345
        623.95   6.967    310
        622.07   6.946     39
        621.73   6.943     39
        619.42   6.917    273
        230.63   2.576   1000
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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