41564-68-5

3-(4-CHLOROPHENYL)-1-(4-METHOXYPHENYL)PROP-2-EN-1-ONE(41564-68-5)质谱(MS)

产品名称:3-(4-CHLOROPHENYL)-1-(4-METHOXYPHENYL)PROP-2-EN-1-ONE

CAS:41564-68-5

分子式:C16H13ClO2

分子量: 272.73

InChI:InChI=1S/C16H13ClO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+

InChIKey: RESSHTKZHPRDTR-NYYWCZLTSA-N

Smiles:C(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=C(Cl)C=C1

Mass

MS-NW-9741          
trans-4-chloro-4'-methoxychalcone
C16H13ClO2          (Mass of molecular ion:    272)

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

      50.0       1.5
      51.0       2.2
      63.0       3.1
      64.0       4.8
      65.0       1.0
      74.0       1.3
      75.0       5.6
      76.0       3.2
      77.0      16.5
      78.0       1.6
      79.0       1.3
      89.0       1.6
      92.0      13.2
      93.0       1.2
     101.0      10.8
     102.0      11.5
     103.0       1.5
     104.0       2.9
     104.5       1.4
     107.0      12.1
     108.0       4.7
     111.0       1.2
     118.5       1.7
     122.0       2.7
     135.0      55.7
     136.0       6.6
     137.0       8.9
     138.0       1.5
     139.0       3.7
     145.0       1.1
     160.0      10.2
     161.0       2.8
     163.0       1.1
     164.0       1.4
     165.0      22.4
     166.0      11.7
     167.0       4.7
     176.0       1.3
     177.0       2.1
     178.0       4.8
     179.0       1.2
     193.0       2.3
     194.0       7.7
     195.0       3.8
     201.0       3.0
     205.0       1.1
     208.0       4.4
     209.0       7.8
     210.0       1.2
     213.0       1.6
     222.0       3.3
     228.0       1.6
     229.0      13.0
     230.0       2.4
     231.0       4.5
     237.0      24.0
     238.0       4.3
     241.0      11.1
     242.0       2.1
     243.0       5.7
     244.0      17.6
     245.0       3.5
     246.0       5.7
     255.0       1.4
     256.0       1.2
     257.0      18.1
     258.0       3.3
     259.0       5.9
     271.0      31.6
     272.0     100.0
     273.0      27.2
     274.0      33.2
     275.0       5.7

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₃ Cl O₂	0.032 g : 0.5 ml CDCl₃
trans-4-chloro-4'-methoxychalcone

    Assign.     Shift(ppm)

      A             8.029
      B             7.733
      C             7.558
      D             7.511
      E             7.377
      F             6.978
      G             3.882
     
     J(B,D)=15.6HZ.
     90MHZ. : HSP-05-097

     Hz     ppm     Int.

   3216.43   8.049     30
   3213.62   8.042    233
   3211.43   8.036     78
   3206.67   8.024     75
   3204.59   8.019    254
   3201.66   8.012     30
   3099.61   7.756     87
   3083.98   7.717    121
   3025.27   7.570    174
   3023.68   7.566     63
   3018.68   7.554     65
   3016.97   7.550    218
   3014.65   7.544     34
   3014.16   7.543     31
   3008.18   7.528    212
   2992.55   7.488    150
   2954.71   7.394     34
   2952.27   7.388    241
   2950.44   7.383     75
   2945.56   7.371     62
   2943.85   7.367    194
   2796.14   6.997     31
   2793.33   6.990    240
   2791.26   6.985     77
   2786.50   6.973     71
   2784.30   6.967    237
   1551.51   3.883   1000

¹H NMR	89.56 MHz
C₁₆ H₁₃ Cl O₂	0.032 g : 0.5 ml CDCl₃
trans-4-chloro-4'-methoxychalcone

    Assign.     Shift(ppm)

      A             8.025
      B             7.72
      C             7.55
      D             7.51
      E             7.39
      F             6.974
      G             3.879
     
     400MHZ. : HSP-41-814

     Hz     ppm     Int.

    723.44   8.078    199
    721.38   8.055     62
    716.56   8.001     75
    714.44   7.978    243
    702.81   7.848     44
    687.19   7.673    172
    681.94   7.615     97
    680.00   7.593     52
    677.31   7.563    283
    675.44   7.542     76
    673.31   7.518    267
    671.50   7.498     50
    671.38   7.497     50
    665.50   7.431     68
    663.69   7.411    288
    661.63   7.388    119
    657.06   7.337     43
    655.00   7.314     97
    628.94   7.023    228
    626.81   6.999     64
    622.06   6.946     60
    619.94   6.923    194
    347.50   3.881   1000

in CDCl3