329-15-7

alpha,alpha,alpha-Trifluoro-o-toluoyl chloride(329-15-7) Raman

Product Namealpha,alpha,alpha-Trifluoro-o-toluoyl chloride

CAS 329-15-7

Molecular FormulaC8H4ClF3O

Molecular Weight208.57

InChIInChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H

InChIKey OXZYBOLWRXENKT-UHFFFAOYSA-N

SmilesC(Cl)(=O)C1=CC=C(C(F)(F)F)C=C1

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alpha,alpha,alpha-Trifluoro-o-toluoyl chloride(329-15-7) Raman
Mass

MS-NW-7682          
p-(trifluoromethyl)benzoyl chloride
C8H4ClF3O           (Mass of molecular ion:    208)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       1.9
      31.0       1.0
      37.0       1.4
      38.0       2.0
      49.0       1.1
      50.0       9.9
      51.0       2.5
      57.0       2.0
      62.0       1.2
      63.0       2.8
      69.0       3.0
      73.0       1.1
      74.0       4.8
      75.0       9.5
      76.0       3.5
      77.0       2.0
      94.0       1.3
      95.0      10.9
      99.0       1.8
     119.0       1.4
     125.0       5.6
     126.0       2.7
     143.0       1.0
     144.0       1.7
     145.0      61.6
     146.0       5.2
     161.0       3.4
     163.0       1.0
     173.0     100.0
     174.0       9.0
     189.0       1.3
     190.0       2.1

90 MHz in CDCl3

alpha,alpha,alpha-Trifluoro-o-toluoyl chloride(329-15-7) Raman

¹H NMR	89.56 MHz
C₈ H₄ Cl F₃ O	0.05 ml : 0.5 ml CDCl₃
p-(trifluoromethyl)benzoyl chloride

    Assign.     Shift(ppm)

      A             8.348
      B             7.905

     Hz     ppm     Int.

    753.31   8.412    596
    752.56   8.403    661
    744.44   8.313    923
    743.69   8.304    785
    711.94   7.950    927
    711.38   7.944   1000
    703.06   7.851    706
    702.44   7.844    566

in CDCl3