586-37-8

3-甲氧基苯乙酮(586-37-8)核磁图(¹³CNMR)

产品名称:3-甲氧基苯乙酮

CAS:586-37-8

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3

InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N

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

Mass

MS-NW-1489          
3'-methoxyacetophenone
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       4.3
      27.0       1.2
      28.0       1.3
      37.0       1.0
      38.0       4.5
      39.0       4.9
      43.0      23.7
      50.0       6.8
      51.0       5.9
      52.0       1.3
      53.0       1.4
      61.0       1.0
      62.0       3.0
      63.0      11.6
      64.0      13.5
      65.0       4.3
      74.0       2.6
      75.0       2.0
      76.0       4.5
      77.0      38.9
      78.0       5.7
      79.0       3.1
      91.0       2.3
      92.0      22.5
      93.0       2.0
     107.0      44.1
     108.0       4.0
     135.0     100.0
     136.0       8.8
     150.0      58.5
     151.0       5.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
3'-methoxyacetophenone

    Assign.     Shift(ppm)

      A             7.50
      B             7.46
      C             7.35
      D             7.10
      E             3.835
      F             2.574

     Hz     ppm     Int.

    679.50   7.588     22
    678.13   7.572     51
    676.63   7.556     40
    670.88   7.491    235
    669.31   7.474    186
    665.94   7.436     88
    657.94   7.347    114
    652.19   7.283     23
    650.75   7.267     54
    640.50   7.152     66
    639.00   7.135     75
    637.94   7.124     69
    636.44   7.107     58
    632.63   7.064     35
    631.00   7.046     39
    630.25   7.038     36
    628.63   7.020     30
    343.50   3.836    957
    230.56   2.575   1000

in CDCl3