22966-09-2

(E)-1-Phenyl-3-(4-bromophenyl)-2-propene-1-one(22966-09-2)红外图谱(IR2)

产品名称:(E)-1-Phenyl-3-(4-bromophenyl)-2-propene-1-one

CAS:22966-09-2

分子式:C15H11BrO

分子量: 287.15

InChI:InChI=1S/C15H11BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+

InChIKey: JFARWEWTPMAQHW-DHZHZOJOSA-N

Smiles:C(C1=CC=CC=C1)(=O)/C=C/C1=CC=C(Br)C=C1

Mass

MS-NW-9757          
trans-4-bromochalcone
C15H11BrO           (Mass of molecular ion:    286)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.1
      39.0       1.6
      50.0       7.1
      51.0      17.4
      52.0       2.6
      62.0       1.1
      63.0       3.1
      74.0       4.4
      75.0      13.0
      76.0      18.9
      77.0      61.1
      78.0       4.7
      88.0       2.2
      88.5       1.0
      89.0      13.7
      89.5      12.9
      90.0       2.1
     101.0      12.0
     102.0      66.3
     103.0       6.9
     103.5       3.8
     104.0       1.4
     105.0      53.1
     106.0       4.2
     129.0       1.1
     130.0      29.0
     131.0       4.8
     151.0       1.9
     152.0       3.0
     155.0       1.3
     157.0       1.3
     165.0       1.4
     176.0       3.7
     177.0       3.8
     178.0      33.1
     179.0      47.2
     180.0       7.4
     181.0      12.6
     182.0       2.6
     183.0      12.3
     184.0       1.1
     189.0       1.4
     205.0       1.3
     206.0       3.0
     207.0     100.0
     208.0      16.7
     209.0      27.3
     210.0       3.0
     211.0      26.0
     212.0       2.6
     258.0       3.7
     260.0       3.6
     271.0       1.0
     285.0      37.4
     286.0      84.0
     287.0      49.7
     288.0      82.4
     289.0      13.1
     290.0       1.3

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₁ Br O	0.034 g : 0.5 ml CDCl₃
trans-4-bromochalcone

    Assign.     Shift(ppm)

      A             8.012
      B             7.730
      C             7.586
      D             7.54
      E             7.52
      F             7.50
     
     J(B,E)=15.8HZ.
     90MHZ. : HSP-05-092

     Hz     ppm     Int.

   3208.62   8.029     64
   3206.67   8.024    317
   3205.93   8.022    275
   3205.32   8.021    398
   3203.98   8.017    176
   3200.44   8.009    124
   3198.36   8.003    485
   3196.90   8.000    384
   3098.63   7.754    236
   3082.89   7.714    333
   3042.24   7.613     59
   3040.89   7.609    107
   3039.55   7.606     68
   3035.89   7.597     79
   3033.57   7.591    223
   3031.49   7.586    100
   3030.03   7.582     34
   3027.59   7.576    148
   3026.25   7.573    248
   3024.90   7.569    140
   3022.22   7.563     77
   3020.14   7.557    333
   3018.19   7.553    146
   3013.67   7.541    229
   3011.11   7.535   1000
   3009.64   7.531    224
   3008.30   7.528    133
   3006.96   7.524    276
   3006.47   7.523    357
   3005.00   7.520    191
   3001.10   7.510    206
   2999.15   7.505    937
   2997.31   7.500    313
   2995.24   7.495    496
   2993.04   7.490    193
   2992.55   7.488    171
   2991.46   7.486    358
   2990.84   7.484    405
   2988.28   7.478     53

¹H NMR	89.56 MHz
C₁₅ H₁₁ Br O	0.034 g : 0.5 ml CDCl₃
trans-4-bromochalcone

    Assign.     Shift(ppm)

      A             8.008
      B             7.71
      C          7.60 to 7.40
      D             7.54
     
     400MHZ. : HSP-41-812

     Hz     ppm     Int.

    722.38   8.066    132
    720.63   8.047    143
    718.69   8.025     71
    717.69   8.014     76
    717.13   8.008     76
    715.25   7.987    123
    713.88   7.971     77
    712.63   7.958    187
    711.00   7.939     33
    702.81   7.848     78
    687.06   7.672    331
    684.19   7.640     42
    682.44   7.620     96
    680.56   7.599    110
    677.81   7.569    598
    675.81   7.546    336
    673.38   7.519   1000
    670.75   7.490    136
    669.75   7.479    157
    667.06   7.449     53
    666.38   7.441     54
    664.63   7.422     70
    662.13   7.394    106

in CDCl3

KBr disc

nujol mull