2632-13-5

alpha-溴-4-甲氧基苯乙酮(2632-13-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:alpha-溴-4-甲氧基苯乙酮

CAS:2632-13-5

分子式:C9H9BrO2

分子量: 229.07

InChI:InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

InChIKey: XQJAHBHCLXUGEP-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(OC)C=C1)CBr

Mass

MS-NW-9643          
2-bromo-4'-methoxyacetophenone
C9H9BrO2            (Mass of molecular ion:    228)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       1.0
      18.0       5.5
      27.0       1.6
      29.0       1.1
      31.0       8.5
      38.0       1.1
      39.0       1.2
      43.0       1.8
      45.0       5.5
      46.0       1.9
      50.0       2.3
      51.0       2.1
      63.0       3.6
      64.0       4.7
      65.0       1.0
      76.0       1.4
      77.0      16.2
      78.0       2.6
      79.0       1.1
      91.0       1.0
      92.0       7.9
     107.0      11.7
     108.0       1.0
     121.0       3.3
     135.0     100.0
     136.0       8.8
     150.0       2.5
     184.0       1.1
     228.0       2.6
     230.0       2.6

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Br O₂	0.042 g : 0.5 ml CDCl₃
2-bromo-4'-methoxyacetophenone

    Assign.     Shift(ppm)

      A             7.966
      B             6.957
      C             4.402
      D             3.880

     Hz     ppm     Int.

   3190.92   7.985     51
   3188.11   7.978    269
   3186.04   7.973     89
   3181.15   7.960     95
   3179.20   7.955    277
   3176.27   7.948     28
   2787.35   6.975     53
   2784.42   6.968    277
   2782.47   6.963     90
   2777.59   6.951     90
   2775.51   6.945    262
   2772.58   6.938     25
   1759.40   4.403    726
   1550.90   3.881   1000

¹H NMR	89.56 MHz
C₉ H₉ Br O₂	0.032 g : 0.5 ml CDCl₃
2-bromo-4'-methoxyacetophenone

    Assign.     Shift(ppm)

      A             7.963
      B             6.959
      C             4.396
      D             3.881

     Hz     ppm     Int.

    718.19   8.020    201
    716.06   7.996     65
    711.31   7.943     73
    709.13   7.918    248
    706.25   7.886     30
    630.06   7.036     31
    627.31   7.005    225
    625.06   6.980     62
    620.38   6.927     61
    618.25   6.904    187
    393.81   4.398    820
    347.69   3.883   1000

in CDCl3