Propylene carbonate (108-32-7) MS

Product NamePropylene carbonate

CAS 108-32-7

Molecular FormulaC4H6O3

Molecular Weight102.09

InChIInChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3

InChIKey RUOJZAUFBMNUDX-UHFFFAOYSA-N

SmilesO1CC(C)OC1=O

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Mass

MS-NW-0810          
propylene carbonate
C4H6O3              (Mass of molecular ion:    102)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.5
      15.0      13.3
      26.0       9.7
      27.0      26.4
      28.0      63.8
      29.0      37.4
      30.0      39.6
      31.0       5.7
      38.0       1.5
      39.0       5.5
      40.0       1.4
      41.0       4.1
      42.0       4.7
      43.0      77.8
      44.0       5.5
      45.0       3.6
      55.0       1.1
      56.0       1.7
      57.0     100.0
      58.0      13.6
      59.0       1.7
      87.0      20.0
     102.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₆ O₃	0.02 ml : 0.5 ml CDCl₃
propylene carbonate

    Assign.     Shift(ppm)

      A             4.854
      B     *1      4.56
      C     *1      4.04
      D             1.497

     Hz     ppm     Int.

    440.63   4.920     54
    439.63   4.909     76
    439.19   4.904     80
    433.56   4.842     71
    433.00   4.835     85
    432.06   4.825     88
    426.06   4.758     89
    416.31   4.649    156
    408.69   4.564    124
    408.06   4.557    267
    400.50   4.472    183
    368.13   4.111    251
    361.06   4.032    216
    359.94   4.019    177
    352.94   3.941     99
    137.00   1.530   1000
    130.88   1.462    921

in CDCl3