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返回ChemicalBook首页>CAS数据库列表>6953-60-2更多图谱> S-乙酰巯基丁二酸酐(6953-60-2)核磁图(13CNMR)

6953-60-2

S-乙酰巯基丁二酸酐(6953-60-2)核磁图(13CNMR)

分子式:C6H6O4S

分子量: 174.17

InChI:InChI=1S/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3

InChIKey: AHTFMWCHTGEJHA-UHFFFAOYSA-N

Smiles:C(SC1CC(=O)OC1=O)(=O)C

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    Mass

    MS-IW-2319          
    2-(acetylthio)succinic anhydride
    C6H6O4S             (Mass of molecular ion:    174)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0       5.9
          25.0       1.1
          26.0       7.9
          27.0      10.3
          28.0       1.1
          29.0       1.0
          32.0       1.0
          33.0       1.2
          41.0       1.1
          42.0       5.8
          43.0     100.0
          44.0       6.2
          45.0       8.5
          53.0       1.5
          54.0       7.4
          55.0      19.7
          57.0       2.8
          58.0       9.8
          59.0      10.4
          60.0       5.4
          61.0       2.1
          76.0       1.4
          86.0       1.3
          87.0       2.0
          98.0       2.9
          99.0       1.3
         102.0       5.8
         104.0       2.5
         174.0       7.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H6 O4 S 0.043 g : 0.5 ml CDCl3
    2-(acetylthio)succinic anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.279 B 3.456 C 2.993 D 2.424

         Hz     ppm     Int.
    

        392.69   4.385     51
        385.75   4.308     66
        382.38   4.270     69
        375.38   4.192     76
        326.88   3.650     61
        316.50   3.534     43
        307.81   3.437    122
        297.50   3.322     96
        277.69   3.101    114
        270.69   3.023    105
        258.63   2.888     56
        251.69   2.811     51
        217.06   2.424   1000
    

in CDCl3

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KBr disc

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nujol mull

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