Product Namep-Toluenesulfonic acid 2-methoxyethyl ester

CAS

Molecular FormulaC10H14O4S

Molecular Weight230.28

InChIInChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3

InChIKey TZXJJSAQSRHKCZ-UHFFFAOYSA-N

SmilesC1(=CC=C(C)C=C1)S(=O)(=O)OCCOC

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2200          
2-methoxyethyl p-toluenesulfonate
C10H14O4S           (Mass of molecular ion:    230)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.6
      27.0       1.3
      28.0       1.8
      29.0       3.7
      31.0       2.1
      39.0       5.4
      41.0       2.1
      43.0       2.6
      45.0     100.0
      46.0       2.5
      50.0       1.3
      51.0       2.6
      58.0      88.2
      59.0       6.9
      62.0       1.0
      63.0       4.4
      64.0       1.4
      65.0      19.8
      66.0       1.1
      75.0       2.2
      77.0       2.4
      79.0       1.1
      89.0       5.1
      90.0       3.0
      91.0      68.4
      92.0       6.6
     105.0       6.4
     107.0       2.0
     121.0       4.1
     135.0       2.5
     139.0       3.2
     155.0      37.7
     156.0       3.5
     157.0       2.0
     172.0      10.2
     173.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄ O₄ S	0.05 ml : 0.5 ml CDCl₃
2-methoxyethyl p-toluenesulfonate

    Assign.     Shift(ppm)

      A             7.795
      B             7.351
      C             4.152
      D             3.569
      E             3.293
      F             2.441

     Hz     ppm     Int.

   3119.63   7.806    165
   3117.92   7.802     58
   3113.16   7.790     62
   3111.33   7.786    188
   3109.38   7.781     30
   2942.75   7.364    121
   2942.14   7.362    141
   2940.19   7.357     44
   2936.16   7.347     46
   2934.20   7.342    133
   2933.47   7.341    118
   1664.31   4.165    175
   1661.50   4.158     68
   1660.89   4.156     92
   1659.67   4.153    172
   1658.20   4.150     92
   1657.59   4.148     69
   1654.91   4.141    198
   1430.91   3.581    179
   1428.22   3.574     66
   1427.61   3.573     86
   1426.15   3.569    161
   1425.05   3.566     87
   1424.44   3.565     65
   1421.63   3.558    170
   1316.16   3.294   1000
    975.59   2.442    454

in CDCl3

liquid film

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