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25774-02-1

PHENYLMALONIC ACID MONOBENZYL ESTER

Product Name PHENYLMALONIC ACID MONOBENZYL ESTER

CAS25774-02-1

MFC16H14O4

MW270.28

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  • 25774-02-1_ms
    Mass

    MS-KW-0585          
    phenylmalonic acid monobenzyl ester
    C16H14O4            (Mass of molecular ion:    270)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.5
          28.0       1.3
          39.0       3.7
          41.0       1.1
          44.0      19.7
          51.0       2.6
          63.0       2.4
          65.0       9.0
          77.0       3.1
          79.0       3.6
          89.0       4.6
          90.0       5.3
          91.0     100.0
          92.0       9.3
         107.0       2.9
         108.0       6.7
         118.0       5.0
         226.0      13.1
         227.0       2.2
    

400 MHz in CDCl3

  • 25774-02-1_1hnmr

    1H NMR 399.65 MHz
    C16H14O4 0.039 g : 0.5 ml CDCl3
    benzyl hydrogen phenylmalonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.1 B 7.35 to 7.27 C *1 5.190 D *1 5.172 E 4.691

         Hz     ppm     Int.
    

       4030.61  10.083     18
       2954.87   7.392    196
       2953.34   7.388    164
       2950.29   7.380    328
       2947.09   7.372    427
       2946.63   7.371    429
       2944.80   7.366    596
       2941.59   7.358    189
       2938.24   7.350    316
       2937.17   7.347    296
       2935.34   7.343    602
       2934.88   7.342    647
       2933.96   7.339    572
       2932.59   7.336    409
       2930.61   7.331    739
       2928.01   7.325    761
       2926.64   7.321    213
       2924.50   7.316    222
       2923.59   7.313    423
       2922.37   7.310    319
       2921.45   7.308    385
       2918.25   7.300    767
       2917.64   7.299    633
       2916.42   7.295    912
       2913.82   7.289    330
       2911.99   7.284    228
       2910.16   7.280    159
       2907.57   7.273    573
       2904.36   7.265    343
       2903.91   7.264    346
       2902.38   7.260    233
       2899.79   7.254    265
       2897.65   7.249    206
       2885.14   7.217    135
       2085.27   5.217    119
       2072.91   5.186    756
       2069.10   5.176    738
       2056.89   5.146    114
       2047.73   5.123     17
       1875.00   4.691   1000
    

in CDCl3

KBr disk