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2-苯基乙酰基乙腈

产品名称 2-苯基乙酰基乙腈

CAS号4468-48-8

分子式C10H9NO

分子量159.19

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  • Mass

    MS-IW-2754          
    2-phenylacetoacetonitrile
    C10H9NO             (Mass of molecular ion:    159)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       3.7
          27.0       1.1
          28.0       1.0
          38.0       1.9
          39.0       6.9
          42.0       1.0
          43.0      92.7
          44.0       2.7
          50.0       4.1
          51.0       5.6
          52.0       1.4
          61.0       1.3
          62.0       3.7
          63.0       9.5
          64.0       3.3
          65.0       2.0
          74.0       1.4
          75.0       1.3
          76.0       1.4
          77.0       4.6
          87.0       1.4
          88.0       2.5
          89.0      17.6
          90.0      18.5
          91.0       2.1
         105.0       3.9
         114.0       1.2
         115.0       1.5
         116.0      16.1
         117.0     100.0
         118.0       9.5
         122.0       1.0
         149.0       1.0
         159.0       6.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10 H9 N O 0.056 g : 0.5 ml DMSO-d6
    2-phenylacetoacetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.7 B 7.646 C 7.361 D 7.206 E 2.355

         Hz     ppm     Int.
    

       3061.07   7.660    159
       3059.84   7.657    194
       3057.86   7.652     64
       3052.52   7.638    211
       3051.45   7.636    194
       3049.47   7.631     40
       2951.35   7.385     34
       2949.83   7.382    136
       2947.85   7.377     63
       2942.35   7.363    218
       2935.94   7.347     65
       2934.11   7.342    150
       2932.28   7.338     32
       2887.88   7.227     46
       2886.66   7.223     84
       2885.44   7.220     49
       2880.86   7.209     46
       2879.33   7.205    125
       2877.66   7.201     45
       2873.08   7.189     33
       2871.86   7.186     55
       2870.79   7.184     31
        941.16   2.355   1000
    

in DMSO-d6



KBr disc



nujol mull



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