83-13-6

Diethyl phenylmalonate(83-13-6) ¹H NMR

Product NameDiethyl phenylmalonate

CAS 83-13-6

Molecular FormulaC13H16O4

Molecular Weight236.26

InChIInChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChIKey FGYDHYCFHBSNPE-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(C1=CC=CC=C1)C(OCC)=O

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Diethyl phenylmalonate(83-13-6) <sup>1</sup>H NMR
Mass

MS-NW-1607          
diethyl phenylmalonate
C13H16O4            (Mass of molecular ion:    236)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.9
      18.0       1.4
      26.0       1.9
      27.0      19.5
      28.0       2.2
      29.0      91.9
      30.0       2.0
      31.0       4.5
      38.0       1.8
      39.0       8.3
      40.0       1.6
      41.0       1.8
      43.0       2.0
      44.0       1.6
      45.0       4.6
      50.0       2.2
      51.0       6.7
      52.0       1.2
      53.0       1.2
      62.0       3.5
      63.0      11.8
      64.0       5.3
      65.0       4.5
      77.0      19.9
      78.0       3.9
      79.0      50.8
      80.0       3.3
      89.0      25.7
      90.0      45.3
      91.0      95.2
      92.0       9.8
     104.0       1.0
     105.0       9.8
     106.0       1.3
     107.0      67.0
     108.0       5.5
     117.0       5.1
     118.0      82.1
     119.0      26.9
     120.0       2.7
     131.0       1.2
     133.0       1.2
     134.0       1.2
     135.0      63.9
     136.0      73.2
     137.0       6.6
     146.0       5.4
     162.0       1.8
     163.0      94.9
     164.0     100.0
     165.0      11.0
     166.0       1.0
     190.0       3.5
     191.0       6.3
     192.0      10.8
     193.0       1.4
     236.0      43.5
     237.0       6.2