126443-12-7

(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one(126443-12-7) MS

Product Name(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

CAS 126443-12-7

Molecular FormulaC16H13BrO2

Molecular Weight317.17722

InChIInChI=1S/C16H13BrO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+

InChIKey FTECEXAWFUIWJG-NYYWCZLTSA-N

SmilesC(C1=CC=C(Br)C=C1)(=O)/C=C/C1=CC=C(OC)C=C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one(126443-12-7) MS
Mass

MS-IW-1421          
trans-4'-bromo-4-methoxychalcone
C16H13BrO2          (Mass of molecular ion:    316)

   Source Temperature: 200 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      27.0       1.1
      38.0       1.5
      39.0       3.6
      50.0      10.3
      51.0       6.0
      52.0       1.2
      53.0       1.4
      62.0       2.5
      63.0       9.9
      64.0       6.1
      65.0       2.1
      74.0       4.5
      75.0      13.6
      76.0      16.8
      77.0      12.2
      78.0       1.8
      79.0       4.1
      87.0       1.1
      88.0       1.0
      89.0      13.5
      90.0      11.6
      91.0       1.8
      92.0       5.5
     101.0       2.0
     102.0       3.9
     103.0       4.7
     104.0       2.4
     104.5       3.5
     105.0       3.1
     108.0      16.9
     109.0       1.3
     115.0       1.1
     117.0       2.4
     118.0       8.8
     119.0       1.2
     121.0       1.2
     132.0       1.8
     133.0      20.2
     134.0       2.0
     135.0       2.2
     139.0       2.0
     144.0       1.4
     145.0       1.5
     155.0      13.9
     156.0       1.3
     157.0      13.7
     161.0      35.4
     162.0       4.2
     163.0       1.6
     164.0       1.5
     165.0      16.8
     166.0      16.3
     167.0       2.3
     176.0       1.4
     177.0       2.0
     178.0       5.0
     179.0       1.3
     183.0      11.4
     185.0      10.8
     193.0       1.8
     194.0      11.9
     195.0       2.3
     206.0       1.1
     208.0       3.5
     209.0       3.0
     222.0       6.2
     223.0       1.3
     236.0       1.1
     237.0      84.5
     238.0      15.3
     239.0       1.6
     272.0       1.3
     273.0       6.0
     274.0       2.2
     275.0       5.9
     285.0      18.0
     286.0       3.3
     287.0      18.5
     288.0       6.7
     289.0       1.5
     290.0       3.9
     299.0       1.0
     300.0       1.1
     301.0      16.9
     302.0       4.1
     303.0      16.1
     304.0       2.9
     315.0      45.8
     316.0     100.0
     317.0      62.1
     318.0      99.7
     319.0      17.7
     320.0       2.1

400 MHz in CDCl3

(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one(126443-12-7) MS

¹H NMR	399.65 MHz
C₁₆ H₁₃ Br O₂	0.030 g : 0.5 ml CDCl₃
trans-4'-bromo-4-methoxychalcone

    Assign.     Shift(ppm)

      A             7.871
      B             7.784
      C             7.626
      D             7.593
      E             7.351
      F             6.933
      G             3.850
     
     J(B,E)=15.6HZ

     Hz     ppm     Int.

   3152.71   7.889     34
   3150.39   7.883    211
   3148.56   7.879     76
   3143.80   7.867     75
   3141.85   7.862    259
   3139.53   7.856     40
   3119.26   7.805     94
   3103.76   7.767    110
   3054.08   7.642     44
   3051.88   7.637    261
   3049.93   7.632     90
   3045.17   7.620     75
   3043.33   7.615    226
   3040.89   7.609     55
   3039.18   7.605    180
   3037.35   7.601     65
   3032.35   7.588     61
   3030.52   7.583    185
   2944.95   7.369    183
   2929.32   7.330    154
   2775.27   6.945    200
   2773.19   6.940     67
   2768.43   6.928     57
   2766.36   6.922    188
   1538.70   3.851   1000

in CDCl3

liquid film

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