15667-63-7

1-氰基-2-丙烯基乙酸酯(15667-63-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-氰基-2-丙烯基乙酸酯

CAS:15667-63-7

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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₆ H₇ N O₂	0.05 ml : 0.5 ml CDCl₃
1-cyanoallyl acetate

    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