3874-54-2

4-氯-4'-氟苯丁酮(3874-54-2)红外图谱(IR1)

产品名称:4-氯-4'-氟苯丁酮

CAS:3874-54-2

分子式:C10H10ClFO

分子量: 200.64

InChI:InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2

InChIKey: HXAOUYGZEOZTJO-UHFFFAOYSA-N

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

Mass

MS-IW-4773          
4-chloro-4'-fluorobutyrophenone
C10H10ClFO          (Mass of molecular ion:    200)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      36.0       1.7
      39.0       1.5
      41.0       1.5
      50.0       1.2
      51.0       1.0
      69.0       1.6
      75.0       6.9
      94.0       1.5
      95.0      29.4
      96.0       2.8
     109.0       1.2
     123.0     100.0
     124.0       7.7
     133.0       3.4
     134.0       1.0
     135.0       1.4
     138.0      33.3
     139.0       2.9
     163.0       2.8
     164.0       7.7
     165.0       1.0
     200.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ Cl F O	0.05 ml : 0.5 ml CDCl₃
4-chloro-4'-fluorobutyrophenone

    Assign.     Shift(ppm)

      A             8.003
      B             7.131
      C             3.674
      D             3.150
      E             2.219

     Hz     ppm     Int.

   3208.74   8.029     69
   3205.81   8.022    494
   3203.74   8.017    194
   3200.44   8.009    526
   3198.97   8.005    253
   3198.36   8.003    251
   3196.90   8.000    523
   3193.60   7.991    205
   3191.41   7.986    494
   3188.60   7.979     74
   2861.57   7.161     78
   2858.76   7.154    541
   2856.57   7.148    174
   2853.15   7.140    115
   2851.81   7.136    230
   2850.34   7.133    756
   2848.27   7.127    211
   2846.92   7.124    112
   2843.51   7.116    182
   2841.43   7.110    489
   2838.50   7.103     74
   1474.61   3.690    637
   1472.29   3.684     86
   1468.51   3.675    973
   1464.36   3.665     91
   1462.16   3.659    663
   1266.24   3.169    564
   1259.28   3.151   1000
   1252.32   3.134    614
    898.80   2.249    178
    896.61   2.244     36
    892.33   2.233    397
    891.97   2.232    396
    889.77   2.227     75
    885.62   2.216    592
    881.59   2.206     71
    879.27   2.201    409
    874.39   2.188     34
    872.44   2.184    157

in CDCl3