Diethyl isopropylidenemalonate(6802-75-1) Raman

Product NameDiethyl isopropylidenemalonate

CAS 6802-75-1

Molecular FormulaC10H16O4

Molecular Weight200.23

InChIInChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3

InChIKey WEISAZNMMVPNTH-UHFFFAOYSA-N

SmilesC(OCC)(=O)/C(=C(\C)/C)/C(OCC)=O

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Mass

MS2014-05073CW      
diethyl isopropylidenemalonate
C10H16O4            (Mass of molecular ion:    200)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       8.7
      28.0      13.1
      29.0      16.9
      31.0       1.2
      32.0       3.3
      39.0       6.9
      41.0       3.9
      43.0       4.5
      45.0       1.3
      51.0       1.4
      53.0       5.1
      54.0       2.5
      55.0       4.5
      59.0       4.1
      66.0       1.6
      67.0      21.9
      68.0       1.4
      69.0       5.9
      70.0       2.5
      82.0      16.0
      83.0       6.4
      85.0       1.9
      87.0       3.6
      97.0       2.8
      98.0      15.7
      99.0     100.0
     100.0       7.3
     108.0       1.5
     109.0      36.9
     110.0       2.6
     111.0       1.7
     125.0       4.0
     126.0       6.5
     127.0      16.8
     128.0       1.3
     154.0      68.0
     155.0      84.6
     156.0       7.5
     157.0       1.0
     200.0       3.7

in CDCl3

parameter in CDCl3

¹H NMR	300 MHz
C₁₀ H₁₆ O₄	0.05 ml : 0.5 ml CDCl₃
diethyl isopropylidenemalonate

    Parameter     ppm  Hz

      D(A)         4.239
      D(B)         1.294
       J(A,B)          7.76
     
      D(C)         2.069

     Hz     ppm     Int.

   1283.40   4.278     81
   1275.64   4.252    244
   1267.87   4.226    248
   1260.13   4.200     84
    620.69   2.069   1000
    395.93   1.320    253
    388.19   1.294    498
    380.42   1.268    243

in CDCl3