75230-41-0

4'-(2-乙酰氧基乙氧基)苯乙酮(75230-41-0)质谱(MS)

产品名称:4'-(2-乙酰氧基乙氧基)苯乙酮

CAS:75230-41-0

分子式:C12H14O4

分子量: 222.24

InChI:InChI=1S/C12H14O4/c1-9(13)11-3-5-12(6-4-11)16-8-7-15-10(2)14/h3-6H,7-8H2,1-2H3

InChIKey: KEONNVSUEWQGQT-UHFFFAOYSA-N

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

Mass

MS-NW-2375          
4'-(2-acetoxyethoxy)acetophenone
C12H14O4            (Mass of molecular ion:    222)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.0
      39.0       1.0
      43.0      54.8
      44.0       1.3
      50.0       1.1
      63.0       1.1
      65.0       1.8
      76.0       1.4
      77.0       1.7
      87.0     100.0
      88.0       4.4
      91.0       1.6
      93.0       1.4
     121.0       7.6
     147.0       2.7
     222.0       3.0

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₄ O₄	0.44 g : 0.5 ml CDCl₃
4'-(2-acetoxyethoxy)acetophenone

    Assign.     Shift(ppm)

      A             7.939
      B             6.953
      C             4.447
      D             4.242
      E             2.555
      F             2.104

     Hz     ppm     Int.

   3177.73   7.952    209
   3175.54   7.946     67
   3170.78   7.934     63
   3168.70   7.929    225
   2783.08   6.964    201
   2780.88   6.959     62
   2776.12   6.947     58
   2774.05   6.942    193
   1782.35   4.460    103
   1779.91   4.454     38
   1777.71   4.449    120
   1776.49   4.446     73
   1775.02   4.442     40
   1772.83   4.436    126
   1699.58   4.253    140
   1697.39   4.248     41
   1695.92   4.244     70
   1694.70   4.241    121
   1692.50   4.235     39
   1690.06   4.229    101
   1024.17   2.563     31
   1021.48   2.556   1000
    840.94   2.105    927

¹H NMR	89.56 MHz
C₁₂ H₁₄ O₄	0.047 g : 0.5 ml CDCl₃
4'-(2-acetoxyethoxy)acetophenone

    Assign.     Shift(ppm)

      A             7.93
      B             6.95
      C             4.44
      D             4.25
      E             2.553
      F             2.101

     Hz     ppm     Int.

    715.31   7.987    169
    713.19   7.964     57
    708.50   7.911     66
    706.25   7.886    205
    703.44   7.855     31
    626.56   6.996    191
    624.44   6.973     59
    619.69   6.920     57
    617.56   6.896    154
    403.94   4.511     39
    402.63   4.496     43
    399.13   4.457     78
    398.56   4.451     74
    397.13   4.435     70
    395.63   4.418     58
    394.25   4.403    114
    393.56   4.395    109
    384.06   4.289    115
    383.31   4.280    112
    381.94   4.265     54
    380.50   4.249     73
    379.06   4.233     80
    378.50   4.227     81
    374.88   4.186     49
    373.69   4.173     43
    228.56   2.553   1000
    225.63   2.520     43
    224.44   2.507     30
    188.06   2.100    916

in CDCl3