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Back ChemicalBook Home>CAS DataBase List>23806-24-8More Spectrum> 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1

23806-24-8

3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1

Molecular FormulaC6H6O2S

Molecular Weight142.18

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

InChIKey IFLKEBSJTZGCJG-UHFFFAOYSA-N

SmilesC1(C(O)=O)SC=CC=1C

  • 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1
    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

  • 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1

    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

  • 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1

KBr disc

  • 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1

nujol mull

  • 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1

  • 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1

3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1 Atlas of Related Products

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