66270-97-1

4-(溴甲基)苯乙酸苯甲酰甲酯(66270-97-1)核磁图(¹HNMR)

产品名称:4-(溴甲基)苯乙酸苯甲酰甲酯

CAS:66270-97-1

分子式:C17H15BrO3

分子量: 347.2

InChI:InChI=1S/C17H15BrO3/c18-11-14-8-6-13(7-9-14)10-17(20)21-12-16(19)15-4-2-1-3-5-15/h1-9H,10-12H2

InChIKey: BUQPIKAEKYNDAS-UHFFFAOYSA-N

Smiles:C1(CC(OCC(=O)C2=CC=CC=C2)=O)=CC=C(CBr)C=C1

Mass

MS-NW-9399          
phenacyl p-(bromomethyl)phenylacetate
C17H15BrO3          (Mass of molecular ion:    346)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.9
      28.0       1.0
      39.0       1.9
      50.0       1.8
      51.0       7.3
      52.0       1.6
      63.0       1.1
      65.0       2.3
      76.0       1.3
      77.0      25.1
      78.0       7.0
      80.0       1.1
      82.0       1.0
      91.0       6.3
     102.0       1.2
     103.0       6.1
     104.0      24.6
     105.0     100.0
     106.0       7.7
     131.0      53.3
     132.0       6.6
     183.0       4.2
     185.0       4.0
     210.0       9.2
     211.0       1.2
     212.0       9.0
     213.0       1.0
     267.0      17.5
     268.0       3.3
     346.0       1.2
     348.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₅ Br O₃	0.030 g : 0.5 ml CDCl₃
phenacyl p-(bromomethyl)phenylacetate

    Assign.     Shift(ppm)

      A             7.884
      B             7.597
      C             7.471
      D     *1      7.366
      E     *1      7.333
      F             5.347
      G             4.482
      J             3.812

     Hz     ppm     Int.

   3155.88   7.897    183
   3155.27   7.896    158
   3154.66   7.894    219
   3149.54   7.881     65
   3147.46   7.876    248
   3146.12   7.873    217
   3045.78   7.622     32
   3044.56   7.619     59
   3043.21   7.615     34
   3038.94   7.605     42
   3037.11   7.600    137
   3035.28   7.595     46
   3030.88   7.584     59
   3029.66   7.581    103
   3028.32   7.578     53
   2994.87   7.494     38
   2993.16   7.490    172
   2991.58   7.486     70
   2985.23   7.470    234
   2979.49   7.456     49
   2977.78   7.451    117
   2949.95   7.382    135
   2947.88   7.377     59
   2943.85   7.367     93
   2941.65   7.361    406
   2932.98   7.339    366
   2930.66   7.334     84
   2926.51   7.323     54
   2924.56   7.318    123
   2137.08   5.348   1000
   1791.50   4.483    726
   1523.80   3.813    600

in CDCl3