2-Fluoro-4-methoxybenzaldehyde(331-64-6) IR2

Product Name2-Fluoro-4-methoxybenzaldehyde

CAS 331-64-6

Molecular FormulaC8H7FO2

Molecular Weight154.14

InChIInChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3

InChIKey UNWQNFJBBWXFBG-UHFFFAOYSA-N

SmilesC(=O)C1=CC=C(OC)C=C1F

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Mass

MS-KW-0186          
2-fluoro-p-anisaldehyde
C8H7FO2             (Mass of molecular ion:    154)

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

      28.0       1.3
      29.0       1.6
      31.0       1.4
      39.0       1.0
      50.0       2.3
      51.0       1.3
      56.0       1.1
      57.0       4.7
      61.0       1.1
      62.0       1.4
      63.0       3.5
      68.0       1.4
      69.0       1.1
      74.0       1.9
      75.0       4.3
      77.0       3.3
      81.0       2.9
      82.0       5.3
      83.0       5.0
      94.0       2.5
      95.0      13.7
      96.0       2.8
      97.0       2.9
     110.0      14.7
     111.0       1.4
     123.0       1.3
     125.0       1.3
     138.0       2.0
     153.0     100.0
     154.0      58.2
     155.0       5.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ F O₂	0.05 ml : 0.5 ml CDCl₃
2-fluoro-p-anisaldehyde

    Assign.     Shift(ppm)

      A            10.204
      B             7.815
      C             6.785
      D             6.642
      E             3.883

     Hz     ppm     Int.

   4078.52  10.206    211
   4077.76  10.204    213
   3132.17   7.838     95
   3123.93   7.817    116
   3123.32   7.816    119
   3115.23   7.795    100
   2718.05   6.802     42
   2717.29   6.800     70
   2716.52   6.798     45
   2715.61   6.795     46
   2715.00   6.794     69
   2714.23   6.792     43
   2709.20   6.779     39
   2708.44   6.778     63
   2707.82   6.776     42
   2706.91   6.774     45
   2706.15   6.772     68
   2705.38   6.770     40
   2662.05   6.661    100
   2659.61   6.655     89
   2649.54   6.630     97
   2647.25   6.624     91
   1552.12   3.884   1000

in CDCl3