53487-52-8

p-Toluenesulfonic acid 1-butyn-3-yl ester(53487-52-8) MS

Product Namep-Toluenesulfonic acid 1-butyn-3-yl ester

CAS 53487-52-8

Molecular FormulaC11H12O3S

Molecular Weight224.28

InChIInChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h1,5-8,10H,2-3H3

InChIKey XWRDBUBKBUYLQI-UHFFFAOYSA-N

SmilesCC(OS(C1=CC=C(C)C=C1)(=O)=O)C#C

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¹HNMR

IR1

IR2

p-Toluenesulfonic acid 1-butyn-3-yl ester(53487-52-8) MS
Mass

MS-NW-9425          
1-methyl-2-propynyl p-toluenesulfonate
C11H12O3S           (Mass of molecular ion:    224)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       1.9
      26.0       2.3
      27.0      16.9
      28.0       2.4
      37.0       1.0
      38.0       2.2
      39.0      11.3
      40.0       1.1
      41.0       6.9
      43.0       2.9
      49.0       1.7
      50.0       9.4
      51.0      14.8
      52.0      17.1
      53.0      35.8
      54.0       1.7
      62.0       1.5
      63.0       6.2
      64.0       2.0
      65.0      27.3
      66.0       1.7
      69.0       9.9
      77.0       6.0
      78.0       1.3
      79.0       7.1
      80.0       2.1
      89.0       6.7
      90.0       5.8
      91.0     100.0
      92.0      13.3
      93.0       1.0
     107.0      17.6
     108.0      15.7
     109.0       1.3
     115.0       1.2
     117.0       2.0
     128.0       1.0
     129.0       4.5
     132.0       2.4
     134.0       1.3
     139.0      35.0
     140.0       3.3
     141.0       2.0
     144.0      23.0
     145.0       4.1
     155.0      18.4
     156.0       2.0
     157.0       1.4
     172.0      33.6
     173.0       3.1
     174.0       1.8
     224.0       1.2