451-46-7

对氟苯甲酸乙酯(451-46-7)核磁图(¹³CNMR)

产品名称:对氟苯甲酸乙酯

CAS:451-46-7

分子式:C9H9FO2

分子量: 168.16

InChI:InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey: UMPRJGKLMUDRHL-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=C(F)C=C1

Mass

MS-NW-5483          
ethyl p-fluorobenzoate
C9H9FO2             (Mass of molecular ion:    168)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.7
      28.0       1.0
      29.0       4.5
      45.0       3.8
      50.0       3.0
      51.0       1.8
      68.0       1.2
      69.0       2.5
      74.0       1.9
      75.0      11.5
      76.0       1.1
      94.0       2.5
      95.0      33.5
      96.0       3.3
     123.0     100.0
     124.0       9.5
     125.0       1.0
     140.0      32.3
     141.0       2.8
     153.0       1.3
     167.0       1.1
     168.0      13.3
     169.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ F O₂	0.04 ml : 0.5 ml CDCl₃
ethyl p-fluorobenzoate

    Assign.     Shift(ppm)

      A             8.053
      B             7.096
      C             4.365
      D             1.387

     Hz     ppm     Int.

    728.69   8.137    208
    726.56   8.113     68
    723.25   8.076    215
    721.88   8.061     83
    721.06   8.052     76
    719.63   8.036    249
    716.38   7.999     73
    714.19   7.975    245
    643.69   7.188    257
    641.50   7.163     69
    637.94   7.124     33
    636.81   7.111     64
    635.19   7.093    342
    634.63   7.087    272
    633.00   7.068     74
    628.31   7.016     60
    626.13   6.992    195
    402.00   4.489    119
    394.75   4.408    437
    387.63   4.329    460
    380.63   4.251    143
    131.13   1.465    467
    124.06   1.386   1000
    116.94   1.306    412

in CDCl3