16002-29-2

2,2'-硫代二乙酸二甲酯(16002-29-2)核磁图(¹HNMR)

产品名称:2,2'-硫代二乙酸二甲酯

CAS:16002-29-2

分子式:C6H10O4S

分子量: 178.21

InChI:InChI=1S/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3

InChIKey: ZQUQLLPRRJVUES-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5810          
dimethyl thiodiacetate
C6H10O4S            (Mass of molecular ion:    178)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       2.9
      15.0      22.5
      27.0       2.5
      28.0       4.1
      29.0       5.5
      30.0       1.2
      31.0       3.0
      42.0      13.3
      43.0      22.5
      44.0       1.7
      45.0     100.0
      46.0      13.8
      47.0       3.6
      48.0       1.0
      58.0       1.9
      59.0      20.5
      60.0       4.1
      61.0      20.1
      63.0       1.0
      74.0      32.7
      75.0       2.2
      77.0       3.5
      87.0       7.6
      91.0      20.7
      93.0       1.0
     101.0       4.7
     104.0       3.7
     105.0       4.6
     114.0       2.0
     118.0      23.5
     119.0      44.2
     120.0       3.9
     121.0       2.4
     146.0      65.0
     147.0       6.5
     148.0       3.6
     178.0      15.8
     179.0       1.5
     180.0       1.2

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₁₀ O₄ S	0.04 ml : 0.5 ml CDCl₃
dimethyl thiodiacetate

    Parameter     ppm  Hz

      D(A)         3.748
     
      D(B)         3.401

     Hz     ppm     Int.

   1124.40   3.748   1000
   1020.30   3.401    667

in CDCl3

liquid film

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2,2'-硫代二乙酸二甲酯(16002-29-2)核磁图(1HNMR)

2,2'-硫代二乙酸二甲酯(16002-29-2)核磁图(¹HNMR)