Isoprothiolane(50512-35-1) IR2

Product NameIsoprothiolane

CAS 50512-35-1

Molecular FormulaC12H18O4S2

Molecular Weight290.4

InChIInChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3

InChIKey UFHLMYOGRXOCSL-UHFFFAOYSA-N

SmilesC(OC(C)C)(=O)/C(=C1/SCCS/1)/C(OC(C)C)=O

Request For Quotation

Mass

MS2001-00773WA      
isoprothiolane
C12H18O4S2          (Mass of molecular ion:    290)

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

      27.0      11.1
      28.0       1.1
      39.0       4.6
      41.0      19.8
      42.0       1.7
      43.0      39.9
      44.0       1.3
      45.0       7.5
      57.0       1.3
      58.0       2.1
      59.0       5.9
      60.0      11.0
      61.0       8.4
      71.0       1.4
      76.0       1.8
      77.0       1.2
      84.0       2.8
      85.0       8.8
      86.0       2.2
      88.0       5.9
      89.0       9.7
      90.0       1.3
      93.0       1.3
     102.0       2.1
     103.0       1.0
     105.0       4.6
     116.0      10.4
     117.0       2.1
     118.0      88.8
     119.0       5.4
     120.0       7.7
     121.0       1.0
     129.0       4.4
     133.0       3.4
     134.0      11.5
     136.0       1.1
     144.0       8.7
     145.0      24.1
     146.0       5.8
     147.0       3.9
     159.0       2.2
     160.0      14.4
     161.0       4.4
     162.0     100.0
     163.0       7.3
     164.0       9.1
     173.0       3.8
     176.0       5.4
     178.0      21.8
     179.0       1.4
     180.0       2.1
     187.0       2.0
     189.0      78.9
     190.0       7.8
     191.0       7.6
     204.0      53.6
     205.0       6.0
     206.0      10.3
     207.0       1.0
     220.0       1.3
     231.0      48.7
     232.0       6.5
     233.0       4.9
     248.0       1.5
     290.0      81.2
     291.0      12.7
     292.0       8.6
     293.0       1.2

in CDCl3