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返回ChemicalBook首页>CAS数据库列表>15667-63-7更多图谱> 1-氰基-2-丙烯基乙酸酯(15667-63-7)红外图谱(IR1)

15667-63-7

1-氰基-2-丙烯基乙酸酯(15667-63-7)红外图谱(IR1)

分子式:C6H7NO2

分子量: 125.13

InChI:InChI=1S/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3

InChIKey: MEHLEOUIWVWVBF-UHFFFAOYSA-N

Smiles:C(#N)C(OC(C)=O)C=C

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    Mass

    MS-IW-4022          
    1-cyanoallyl acetate
    C6H7NO2             (Mass of molecular ion:    125)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       5.8
          26.0       1.5
          27.0       4.6
          28.0       5.5
          37.0       2.6
          38.0       4.7
          39.0      14.5
          40.0       4.2
          42.0       3.7
          43.0     100.0
          44.0       4.6
          54.0       4.2
          55.0      13.6
          56.0       2.7
          57.0       1.3
          61.0       1.8
          64.0       3.7
          65.0       5.1
          66.0      21.6
          67.0       1.2
          82.0       1.4
          83.0      49.4
          84.0       2.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H7 N O2 0.05 ml : 0.5 ml CDCl3
    1-cyanoallyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.915 B 5.860 C 5.727 D 5.557 E 2.162 J(A,B)=5.6HZ J(A,C)=16.6HZ J(A,D)=10.1HZ

         Hz     ppm     Int.
    

       2382.69   5.962     69
       2377.08   5.948     92
       2372.56   5.937     75
       2367.07   5.923    117
       2365.72   5.920     96
       2360.23   5.906    146
       2355.96   5.896     82
       2350.46   5.882    181
       2345.09   5.868    180
       2344.24   5.866    239
       2343.02   5.863    133
       2339.60   5.855     67
       2338.62   5.852    160
       2337.40   5.849    103
       2295.78   5.745    164
       2295.29   5.744    172
       2294.43   5.742    216
       2278.81   5.703    152
       2277.71   5.700    170
       2226.07   5.571    152
       2225.59   5.569    158
       2224.73   5.567    200
       2215.82   5.545    178
       2214.84   5.542    202
        864.26   2.163   1000
    

in CDCl3

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liquid film

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