3-FLUORO-O-XYLENE(443-82-3) ¹³C NMR

Product Name3-FLUORO-O-XYLENE

CAS 443-82-3

Molecular FormulaC8H9F

Molecular Weight124.16

InChIInChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

InChIKey AWLDSXJCQWTJPC-UHFFFAOYSA-N

SmilesC1(F)=CC=CC(C)=C1C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6028          
3-fluoro-o-xylene
C8H9F               (Mass of molecular ion:    124)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.4
      28.0       1.1
      38.0       1.1
      39.0       4.3
      50.0       3.3
      51.0       7.8
      52.0       1.3
      57.0       4.0
      60.0       1.4
      61.0       1.9
      62.0       1.4
      63.0       3.2
      70.0       1.3
      74.0       1.3
      75.0       2.9
      77.0       7.8
      78.0       1.4
      81.0       1.5
      83.0       5.8
      91.0       1.2
      95.0       2.2
      96.0       4.3
      97.0       2.9
     101.0       3.8
     102.0       1.5
     103.0       5.3
     105.0       2.1
     107.0       1.7
     109.0     100.0
     110.0       8.1
     121.0       2.5
     122.0       2.7
     123.0      24.4
     124.0      66.3
     125.0       6.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ F	0.05 ml : 0.5 ml CDCl₃
3-fluoro-o-xylene

    Assign.     Shift(ppm)

      A             7.000
      B             6.888
      C             6.833
      D             2.244
      E             2.146

     Hz     ppm     Int.

   2809.45   7.030     50
   2801.64   7.011    121
   2795.78   6.996    120
   2793.82   6.991     97
   2787.96   6.977     85
   2755.74   6.896    192
   2748.17   6.877    140
   2739.26   6.855    101
   2730.22   6.832    152
   2721.44   6.810     80
    897.09   2.245   1000
    858.89   2.150    693
    856.81   2.144    678

in CDCl3