123-93-3

硫代二乙酸(123-93-3)红外图谱(IR2)

产品名称:硫代二乙酸

CAS:123-93-3

分子式:C4H6O4S

分子量: 150.15

InChI:InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

InChIKey: UVZICZIVKIMRNE-UHFFFAOYSA-N

Smiles:S(CC(O)=O)CC(O)=O

Mass

MS-NW-1763          
2,2'-thiodiacetic acid
C4H6O4S             (Mass of molecular ion:    150)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      13.0       2.2
      14.0      10.6
      15.0       4.3
      17.0       2.3
      18.0       8.7
      27.0       8.6
      28.0       5.8
      29.0       9.3
      31.0      28.6
      32.0       1.3
      33.0       1.0
      34.0       1.1
      35.0       3.3
      41.0       2.2
      42.0      35.5
      43.0      10.3
      44.0       5.0
      45.0      70.9
      46.0      37.4
      47.0     100.0
      48.0       3.2
      49.0       4.0
      55.0       1.1
      57.0       1.3
      58.0       2.6
      59.0       8.8
      60.0      59.4
      61.0      28.3
      62.0       2.4
      63.0       5.1
      74.0       4.0
      75.0       1.1
      77.0      49.5
      78.0       1.5
      79.0       2.2
      87.0       1.9
      90.0       1.6
      91.0       2.6
     104.0      27.1
     105.0      12.0
     106.0      10.0
     114.0       2.1
     132.0      32.8
     133.0       1.9
     134.0       1.9
     150.0      18.5
     151.0       1.0

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₆ O₄ S	0.041 g : 0.5 ml D₂O
2,2'-thiodiacetic acid

    Assign.     Shift(ppm)

      B             3.470
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    310.81   3.471   1000

in D2O

KBr disc

nujol mull

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