88419-56-1

2,4,5-三氟苯甲酰氯(88419-56-1)核磁图(¹³CNMR)

产品名称:2,4,5-三氟苯甲酰氯

CAS:88419-56-1

分子式:C7H2ClF3O

分子量: 194.54

InChI:InChI=1S/C7H2ClF3O/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2H

InChIKey: STBGCAUUOPNJBH-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C1=CC(F)=C(F)C=C1F

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9722          
2,4,5-trifluorobenzoyl chloride
C7H2ClF3O           (Mass of molecular ion:    194)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       2.5
      31.0       5.0
      36.0       1.5
      37.0       1.7
      50.0       1.0
      56.0       1.7
      57.0       1.2
      61.0       3.7
      62.0       3.6
      68.0       1.7
      74.0       1.0
      75.0       3.5
      79.0       1.1
      79.5       6.2
      80.0       4.1
      81.0      29.2
      82.0       1.6
      87.0       1.1
      92.0       1.1
      99.0       2.3
     112.0       1.5
     130.0       2.0
     131.0      41.1
     132.0       2.9
     157.0       1.3
     159.0     100.0
     160.0       7.6
     176.0       1.5
     194.0       3.5
     196.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₂ Cl F₃ O	0.05 ml : 0.5 ml CDCl₃
2,4,5-trifluorobenzoyl chloride

    Assign.     Shift(ppm)

      A             8.007
      B             7.120

     Hz     ppm     Int.

   3212.77   8.039    493
   3212.40   8.039    495
   3206.18   8.023    537
   3205.81   8.022    536
   3204.22   8.018    564
   3203.86   8.017    554
   3202.64   8.014    564
   3202.27   8.013    550
   3197.63   8.002    559
   3197.27   8.001    549
   3196.04   7.998    573
   3195.68   7.997    553
   3194.09   7.993    544
   3187.50   7.976    505
   2858.64   7.153    514
   2858.28   7.152    505
   2852.42   7.138    556
   2848.75   7.129    983
   2845.46   7.120    114
   2842.53   7.113   1000
   2838.87   7.104    540
   2833.01   7.089    566

in CDCl3