Phenthoate(2597-03-7) ¹H NMR

Product NamePhenthoate

CAS 2597-03-7

Molecular FormulaC12H17O4PS2

Molecular Weight320.36

InChIInChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3

InChIKey XAMUDJHXFNRLCY-UHFFFAOYSA-N

SmilesC(C1C=CC=CC=1)(C(=O)OCC)SP(=S)(OC)OC

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¹HNMR

¹³CNMR

IR1

Mass

MS2001-00715WA      
PAP
C12H17O4PS2         (Mass of molecular ion:    320)

   Source Temperature: 190 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      27.0       1.5
      29.0       4.3
      39.0       1.4
      45.0       1.9
      47.0       3.0
      51.0       2.1
      62.0       2.0
      63.0       6.1
      64.0       1.3
      77.0       9.0
      78.0       3.0
      79.0      14.1
      89.0       6.9
      90.0      10.0
      91.0      17.9
      92.0       1.4
      93.0      34.7
     107.0      22.7
     108.0       1.7
     118.0       8.4
     119.0       1.0
     121.0      40.5
     122.0       5.9
     123.0       3.1
     125.0      43.0
     126.0       1.9
     127.0       2.5
     135.0      19.3
     136.0       2.1
     143.0       2.1
     157.0      14.4
     159.0       1.3
     163.0      13.8
     164.0       2.0
     246.0      22.7
     247.0      15.3
     248.0       3.7
     249.0       1.5
     261.0       1.1
     274.0     100.0
     275.0      14.7
     276.0      10.1
     277.0       1.4
     320.0      17.9
     321.0       3.1
     322.0       2.0

in CDCl3

Liquid film

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