Methyl 2-(chlorosulfonyl)benzoate(26638-43-7) ¹³C NMR

Product NameMethyl 2-(chlorosulfonyl)benzoate

CAS 26638-43-7

Molecular FormulaC8H7ClO4S

Molecular Weight234.66

InChIInChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3

InChIKey HUNUAFNLLYVTQD-UHFFFAOYSA-N

SmilesC(OC)(=O)C1=CC=CC=C1S(Cl)(=O)=O

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¹³CNMR

IR1

IR2

Mass

MS-NW-8280          
methyl o-(chlorosulfonyl)benzoate
C8H7ClO4S           (Mass of molecular ion:    234)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      14.0       1.2
      15.0      32.2
      18.0       1.8
      27.0       1.6
      28.0       3.1
      29.0       8.0
      30.0       2.7
      36.0       1.5
      37.0       2.1
      38.0       4.9
      39.0       8.0
      45.0       1.9
      48.0       2.9
      49.0       1.8
      50.0      41.9
      51.0      10.5
      52.0       2.4
      53.0       2.0
      59.0       3.5
      62.0       1.7
      63.0       7.6
      64.0       8.3
      65.0       5.5
      69.0       3.8
      70.0       2.9
      73.0       1.4
      74.0      11.1
      75.0      16.9
      76.0      42.4
      77.0      46.1
      78.0       3.4
      79.0       5.7
      91.0       2.1
      92.0      21.4
      93.0       4.2
      95.0       1.9
      96.0       3.2
      97.0       1.0
     104.0      19.5
     105.0       8.6
     111.0      24.9
     112.0       2.0
     113.0       8.1
     119.0       1.1
     120.0      13.2
     121.0       4.6
     135.0      32.7
     136.0       6.5
     139.0       8.2
     141.0       2.7
     152.0       4.4
     153.0       1.0
     169.0       1.8
     183.0       3.4
     185.0       5.9
     199.0     100.0
     200.0       9.8
     201.0       5.7
     203.0      74.2
     204.0       6.4
     205.0      27.5
     206.0       2.3
     207.0       1.4
     211.0       1.1
     216.0       1.3
     234.0      15.1
     235.0       2.1
     236.0       5.7

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