80-33-1

OVEX(80-33-1) IR1

Product NameOVEX

CAS 80-33-1

Molecular FormulaC12H8Cl2O3S

Molecular Weight303.16

InChIInChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H

InChIKey RZXLPPRPEOUENN-UHFFFAOYSA-N

SmilesC1(S(OC2=CC=C(Cl)C=C2)(=O)=O)=CC=C(Cl)C=C1

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OVEX(80-33-1) IR1
Mass

MS2001-00770WA      
chlorfenson
C12H8Cl2O3S         (Mass of molecular ion:    302)

   Source Temperature: 205 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      38.0       1.7
      39.0       2.0
      50.0       5.5
      51.0       2.8
      62.0       1.9
      63.0       7.7
      64.0       2.4
      73.0       8.0
      74.0       3.4
      75.0      20.1
      76.0       4.7
      85.0       2.4
      99.0      20.5
     100.0       1.4
     101.0       6.5
     111.0      68.5
     112.0       4.7
     113.0      21.7
     114.0       1.5
     127.0      15.1
     128.0       3.5
     129.0       5.0
     130.0       1.1
     131.0       1.1
     139.0       1.8
     159.0       2.5
     161.0       1.0
     168.0       1.0
     175.0     100.0
     176.0       7.3
     177.0      36.7
     178.0       2.7
     179.0       1.6
     302.0      45.5
     303.0       6.6
     304.0      31.6
     305.0       4.5
     306.0       6.3

in CDCl3