Diethyl sulfate(64-67-5) ¹³C NMR

Product NameDiethyl sulfate

CAS 64-67-5

Molecular FormulaC4H10O4S

Molecular Weight154.18

InChIInChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

InChIKey DENRZWYUOJLTMF-UHFFFAOYSA-N

SmilesS(OCC)(OCC)(=O)=O

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Diethyl sulfate(64-67-5) <sup>13</sup>C NMR
Mass

MS-NW-5509          
diethyl sulfate
C4H10O4S            (Mass of molecular ion:    154)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0       6.6
      19.0       2.4
      26.0       4.2
      27.0      20.7
      28.0      29.7
      29.0      75.7
      30.0       3.9
      31.0     100.0
      32.0       1.3
      41.0      17.1
      42.0       1.3
      43.0       7.8
      44.0       2.3
      45.0      42.5
      46.0       9.3
      48.0       1.5
      56.0       3.7
      59.0      40.6
      60.0       1.5
      64.0       1.4
      65.0       2.0
      82.0       1.5
      83.0       1.7
      99.0      16.1
     109.0       1.2
     110.0       1.7
     111.0      22.0
     113.0       1.4
     125.0      18.8
     126.0       5.9
     127.0      12.1
     139.0      23.7
     140.0       1.1
     141.0       1.3

parameter in CDCl3

Diethyl sulfate(64-67-5) <sup>13</sup>C NMR

¹H NMR	300 MHz
C₄ H₁₀ O₄ S	10.3 mol% in CDCl₃
diethyl sulfate

    Parameter     ppm  Hz

      D(A)         1.428
      D(B)         4.336
       J(A,B)          7.13

     Hz     ppm     Int.

   1311.54   4.372    161
   1304.41   4.348    491
   1297.29   4.324    502
   1290.16   4.301    171
    435.50   1.452    507
    428.40   1.428   1000
    421.27   1.404    491

in CDCl3