2,3,5,6-TETRAFLUOROANISOLE(2324-98-3) IR1

Product Name2,3,5,6-TETRAFLUOROANISOLE

CAS 2324-98-3

Molecular FormulaC7H4F4O

Molecular Weight180.1

InChIInChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3

InChIKey AXCOCGJDERQVDK-UHFFFAOYSA-N

SmilesC1(F)=CC(F)=C(F)C(OC)=C1F

Request For Quotation

¹HNMR

IR1

Mass

MS-IW-1329          
2,3,5,6-tetrafluoroanisole
C7H4F4O             (Mass of molecular ion:    180)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.9
      29.0       1.2
      31.0       3.5
      51.0       1.2
      56.0       1.0
      68.0       2.2
      69.0       7.2
      74.0       1.0
      75.0       3.9
      79.0       1.1
      80.0       1.8
      81.0       2.4
      83.0       1.6
      87.0       2.1
      93.0       4.1
      99.0      12.2
     101.0       3.7
     102.0       2.5
     117.0       2.4
     118.0       2.1
     131.0       1.2
     132.0       2.4
     133.0       1.4
     137.0      54.7
     138.0       3.1
     146.0       1.0
     149.0       6.9
     150.0       3.8
     151.0       2.7
     165.0      35.3
     166.0       2.6
     179.0       2.0
     180.0     100.0
     181.0       7.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ F₄ O	0.05 ml : 0.5 ml CDCl₃
2,3,5,6-tetrafluoroanisole

    Assign.     Shift(ppm)

      A             6.764
      B             4.092

     Hz     ppm     Int.

   2720.46   6.808     50
   2713.38   6.790    100
   2710.33   6.782    100
   2706.30   6.772     55
   2703.25   6.765    184
   2700.32   6.757     57
   2696.29   6.747    101
   2693.24   6.739    102
   2686.16   6.722     49
   1637.21   4.097    566
   1635.74   4.093   1000
   1634.40   4.090    785

liquid film