S-ACETYLMERCAPTOSUCCINIC ANHYDRIDE(6953-60-2) MS

Product NameS-ACETYLMERCAPTOSUCCINIC ANHYDRIDE

CAS 6953-60-2

Molecular FormulaC6H6O4S

Molecular Weight174.17

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

InChIKey AHTFMWCHTGEJHA-UHFFFAOYSA-N

SmilesC(SC1CC(=O)OC1=O)(=O)C

Request For Quotation

S-ACETYLMERCAPTOSUCCINIC ANHYDRIDE(6953-60-2) MS
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

S-ACETYLMERCAPTOSUCCINIC ANHYDRIDE(6953-60-2) MS

¹H NMR	89.56 MHz
C₆ H₆ O₄ S	0.043 g : 0.5 ml CDCl₃
2-(acetylthio)succinic anhydride

    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