685-87-0

DIETHYL BROMOMALONATE(685-87-0) Raman

Product NameDIETHYL BROMOMALONATE

CAS 685-87-0

Molecular FormulaC7H11BrO4

Molecular Weight239.06

InChIInChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChIKey FNJVDWXUKLTFFL-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(Br)C(OCC)=O

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DIETHYL BROMOMALONATE(685-87-0) Raman
Mass

MS-NW-8545          
diethyl bromomalonate
C7H11BrO4           (Mass of molecular ion:    238)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       2.3
      19.0       1.6
      26.0       1.9
      27.0      19.5
      28.0       4.9
      29.0     100.0
      30.0       2.7
      31.0       3.9
      41.0       8.3
      42.0       5.4
      43.0       6.8
      44.0       1.0
      45.0       8.5
      60.0       1.1
      69.0      10.2
      73.0       2.2
      76.0       1.4
      86.0       3.4
      87.0       3.9
      88.0       1.1
      93.0       1.0
      94.0       5.7
      96.0       1.8
     115.0       2.9
     120.0       7.6
     121.0       3.5
     122.0       8.0
     123.0       3.2
     133.0       1.0
     138.0      21.4
     140.0      20.9
     166.0       6.5
     167.0       1.1
     168.0       6.3
     193.0       3.3
     195.0       3.1

400 MHz in CDCl3

DIETHYL BROMOMALONATE(685-87-0) Raman

¹H NMR	399.65 MHz
C₇ H₁₁ Br O₄	0.05 ml : 0.5 ml CDCl₃
diethyl bromomalonate

    Assign.     Shift(ppm)

      A             4.853
      B             4.296
      C             1.317

     Hz     ppm     Int.

   1939.82   4.854    514
   1727.91   4.324    246
   1720.83   4.306    610
   1713.62   4.288    633
   1706.54   4.271    271
    539.31   1.350     25
    533.81   1.336    657
    526.73   1.318   1000
    519.53   1.300    685

in CDCl3