52-86-8

氟哌啶醇(52-86-8)Raman光譜

產(chǎn)品名稱:氟哌啶醇

分子式:C21H23ClFNO2

分子量: 375.86

InChI:InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

InChIKey: LNEPOXFFQSENCJ-UHFFFAOYSA-N

Smiles:C(C1=CC=C(F)C=C1)(=O)CCCN1CCC(C2=CC=C(Cl)C=C2)(O)CC1

Mass

MS-IW-9284          
4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
C21H23ClFNO2        (Mass of molecular ion:    375)

   Source Temperature: 170 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       1.2
      18.0       2.4
      27.0       2.3
      28.0       5.7
      29.0       1.7
      30.0       5.7
      39.0       1.8
      41.0       8.4
      42.0      72.2
      43.0       7.2
      44.0       2.5
      48.5       1.6
      50.0       1.2
      51.0       1.8
      53.0       1.2
      54.0       2.3
      55.0       8.3
      56.0      22.2
      57.0       4.3
      58.0       2.3
      60.0       3.6
      62.5       1.4
      63.0       1.3
      68.0       4.0
      69.0       3.4
      70.0      11.7
      71.0       7.9
      75.0       4.6
      76.0       1.1
      77.0       2.2
      82.0       4.6
      83.0      18.5
      84.0      14.6
      85.0       1.1
      86.0       4.8
      94.0       1.2
      95.0      15.1
      96.0       3.4
      97.0       1.1
      98.0       7.7
     101.0       1.6
     102.0       1.5
     103.0       1.7
     109.0       2.1
     111.0       4.3
     112.0       5.5
     113.0       1.9
     115.0       2.4
     123.0      35.6
     124.0       3.0
     125.0       6.3
     126.0       1.1
     127.0       3.8
     128.0       2.5
     129.0       4.5
     130.0       3.0
     131.0       1.0
     133.0       1.9
     135.0       1.3
     137.0       4.7
     138.0       2.6
     139.0       8.1
     140.0       1.0
     141.0       2.7
     149.0       1.3
     151.0       1.4
     154.0       1.9
     163.0       1.3
     164.0       2.7
     165.0      16.1
     166.0       2.6
     167.0       2.3
     176.0       4.8
     177.0       1.9
     189.0       5.7
     190.0       2.5
     191.0       2.3
     192.0       9.7
     193.0       1.9
     194.0       4.2
     196.0       1.0
     206.0      27.9
     207.0       4.1
     208.0      10.0
     209.0       2.7
     210.0       3.0
     211.0       1.0
     218.0       1.2
     219.0       4.5
     220.0       2.8
     221.0       2.8
     222.0       2.3
     224.0     100.0
     225.0      13.7
     226.0      32.5
     227.0       4.5
     236.0       1.0
     237.0      81.4
     238.0      12.4
     239.0      26.8
     240.0       3.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₁ H₂₃ Cl F N O₂	0.040 g : 0.5 ml DMSO-d₆
4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone

    Assign.     Shift(ppm)

      A             8.085
      B     *1      7.37
      C             7.36
      D     *1      7.34
      E             4.85
      F             2.982
      G             2.582
      J             2.360
      K             2.34
      L             1.851
      M             1.674
      N             1.476
     
     J(F-19,A)=5.6HZ
     J(F-19,C)=9.0HZ

     Hz     ppm     Int.

   3239.01   8.105    287
   3236.82   8.100    114
   3233.40   8.091    321
   3229.98   8.083    341
   3226.56   8.074    122
   3224.49   8.069    311
   3221.56   8.061     44
   2955.57   7.396     68
   2953.98   7.392    275
   2952.76   7.389    415
   2950.56   7.383    148
   2947.27   7.375    205
   2944.95   7.369    991
   2943.85   7.367    838
   2939.45   7.356    218
   2937.50   7.351   1000
   2934.94   7.344    491
   2931.03   7.334    152
   2928.71   7.329    315
   2926.88   7.324     59
   1936.40   4.846    500
   1198.73   3.000    197
   1192.02   2.983    457
   1185.18   2.966    217
   1037.72   2.597    137
   1027.10   2.570    167
    950.44   2.379    172
    943.60   2.362    463
    936.77   2.344    235
    932.86   2.335    216
    925.42   2.316     39
    921.88   2.307    111
    920.29   2.303     97
    919.92   2.302     97
    753.17   1.885     45
    746.46   1.868    173
    739.75   1.851    254
    732.91   1.834    166
    726.07   1.817     48
    684.81   1.714     65
    680.54   1.703     77
    671.88   1.682    145
    667.97   1.672    147
    659.42   1.650     98
    655.27   1.640     82
    595.09   1.490    213
    583.01   1.459    166

in DMSO-d6