77636-36-3

(E) -1-(4-甲氧基苯基)-3-(4-硝基苯基)-2-丙烯-1-酮(77636-36-3)核磁图(¹³CNMR)

产品名称:(E) -1-(4-甲氧基苯基)-3-(4-硝基苯基)-2-丙烯-1-酮

CAS:77636-36-3

分子式:C16H13NO4

分子量: 283.28

InChI:InChI=1S/C16H13NO4/c1-21-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(8-3-12)17(19)20/h2-11H,1H3/b11-4+

InChIKey: BUIDDTIFHZVUNT-NYYWCZLTSA-N

Smiles:C(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=C([N+]([O-])=O)C=C1

Mass

MS-NW-9754          
trans-4'-methoxy-4-nitrochalcone
C16H13NO4           (Mass of molecular ion:    283)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.1
      50.0       1.2
      51.0       1.3
      63.0       2.2
      64.0       3.0
      75.0       1.5
      76.0       3.9
      77.0      13.7
      78.0       1.3
      79.0       1.1
      89.0       1.5
      90.0       1.7
      92.0      10.3
      93.0       1.1
     102.0       6.0
     107.0      11.6
     108.0       3.8
     118.0       1.9
     130.0       4.5
     135.0      77.7
     136.0       6.9
     139.0       1.1
     150.0       1.6
     151.0       1.4
     152.0       1.1
     153.0       1.1
     161.0       1.4
     164.0       1.1
     165.0      10.7
     166.0       6.7
     167.0       1.0
     176.0       5.2
     177.0       3.2
     178.0       5.2
     179.0       1.4
     193.0       1.8
     194.0       6.8
     195.0       1.8
     206.0       1.5
     208.0       3.4
     209.0       5.8
     210.0       1.6
     222.0       2.6
     225.0       4.1
     236.0      12.0
     237.0       9.8
     238.0       2.4
     240.0       3.4
     252.0       5.1
     253.0       3.4
     254.0       1.5
     255.0      35.4
     256.0       6.0
     266.0       9.1
     267.0       2.1
     268.0       8.7
     269.0       1.4
     282.0      10.0
     283.0     100.0
     284.0      18.0
     285.0       2.4

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₃ N O₄	0.031 g : 0.5 ml CDCl₃
trans-4'-methoxy-4-nitrochalcone

    Assign.     Shift(ppm)

      A             8.260
      B             8.052
      C             7.79
      D             7.78
      E             7.659
      F             7.001
      G             3.902
     
     J(C,E)=15.6HZ.
     90MHZ. : HSP-05-103

     Hz     ppm     Int.

   3305.79   8.272    194
   3304.08   8.268     76
   3298.83   8.255     65
   3297.00   8.250    211
   3294.80   8.245     39
   3225.71   8.072     30
   3222.90   8.065    230
   3220.70   8.059     84
   3215.94   8.047     74
   3213.87   8.042    257
   3210.94   8.035     33
   3124.02   7.817     81
   3113.89   7.792     35
   3111.57   7.786    212
   3108.40   7.778    154
   3104.61   7.769     63
   3103.03   7.765    181
   3102.54   7.764    174
   3100.71   7.759     36
   3066.77   7.674    220
   3051.15   7.635    128
   2805.42   7.020     31
   2802.61   7.013    238
   2800.54   7.008     83
   2795.65   6.996     69
   2793.58   6.991    241
   1559.69   3.903   1000

¹H NMR	89.56 MHz
C₁₆ H₁₃ N O₄	0.031 g : 0.5 ml CDCl₃
trans-4'-methoxy-4-nitrochalcone

    Assign.     Shift(ppm)

      A             8.257
      B             8.050
      C             7.79
      D             7.77
      E             7.68
      F             7.002
      G             3.901
     
     400MHZ. : HSP-41-820

     Hz     ppm     Int.

    744.50   8.313    153
    742.56   8.292     54
    737.56   8.236     83
    735.56   8.214    229
    733.38   8.189     39
    733.25   8.188     39
    728.50   8.135     38
    725.69   8.103    209
    723.63   8.080     64
    718.81   8.027     86
    716.69   8.003    241
    713.88   7.971     37
    709.56   7.923     35
    702.25   7.842     57
    700.19   7.819    221
    698.19   7.796     71
    693.69   7.746    236
    691.31   7.719    189
    689.56   7.700    287
    673.94   7.526     37
    633.94   7.079     37
    631.13   7.048    234
    629.00   7.024     59
    624.19   6.970     71
    622.13   6.947    186
    349.44   3.902   1000

in CDCl3