5451-72-9

苯甲酸-(2-乙氧基乙基)酯(5451-72-9)紅外圖譜(IR1)

產品名稱:苯甲酸-(2-乙氧基乙基)酯

CAS:5451-72-9

分子式:C11H14O3

分子量: 194.23

InChI:InChI=1S/C11H14O3/c1-2-13-8-9-14-11(12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey: KPHLTQOKDPSIGL-UHFFFAOYSA-N

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

Mass

MS-NW-2215          
2-ethoxyethyl benzoate
C11H14O3            (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       4.8
      28.0       1.5
      29.0       7.3
      31.0      16.7
      39.0       1.0
      41.0       1.0
      43.0      11.0
      44.0      21.6
      45.0       5.2
      50.0       3.9
      51.0      13.6
      59.0      17.2
      72.0      80.5
      73.0       4.1
      76.0       2.1
      77.0      41.8
      78.0       3.2
      79.0       1.2
      89.0       1.6
      91.0       1.2
     105.0     100.0
     106.0       8.0
     120.0       1.4
     122.0       9.5
     123.0       1.3
     149.0       2.9
     150.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₄ O₃	0.04 ml : 0.5 ml CDCl₃
2-ethoxyethyl benzoate

    Assign.     Shift(ppm)

      A             8.06
      B             7.51
      C             7.47
      D             4.47
      E             3.76
      F             3.583
      G             1.229

     Hz     ppm     Int.

    727.38   8.122    199
    725.75   8.104    221
    724.38   8.089     94
    723.38   8.078     82
    721.81   8.060     72
    720.19   8.042    166
    719.75   8.037    178
    717.63   8.013    274
    716.50   8.001     64
    684.88   7.648     41
    678.06   7.572     73
    676.94   7.559    104
    674.19   7.528     64
    673.19   7.517    150
    671.25   7.495    449
    670.19   7.484    173
    669.06   7.471    219
    667.06   7.449     90
    665.19   7.428     99
    664.19   7.417    147
    663.63   7.410    186
    663.19   7.405    181
    661.81   7.390     43
    660.88   7.380     34
    659.38   7.363     42
    657.81   7.345     73
    656.50   7.331     38
    654.75   7.311     50
    405.19   4.525    204
    401.88   4.488    101
    401.19   4.480    165
    400.44   4.472    257
    398.94   4.455    151
    398.31   4.448    106
    395.44   4.416    310
    341.56   3.814    308
    338.69   3.782    106
    338.06   3.775    153
    336.56   3.758    262
    335.75   3.749    173
    335.06   3.742    113
    331.69   3.704    230
    324.00   3.618    467
    317.00   3.540    490
    310.19   3.464    163
    116.75   1.304    487
    109.88   1.227   1000
    102.81   1.148    419

in CDCl3