3-Fluorophthalic anhydride(652-39-1) MS

Product Name3-Fluorophthalic anhydride

CAS 652-39-1

Molecular FormulaC8H3FO3

Molecular Weight166.11

InChIInChI=1S/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H

InChIKey WWJAZKZLSDRAIV-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C(F)=CC=C2)C(=O)O1

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¹HNMR

IR1

IR2

Mass

MS-IW-7556          
3-fluorophthalic anhydride
C8H3FO3             (Mass of molecular ion:    166)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      28.0       1.8
      31.0       3.1
      37.0       6.3
      38.0       1.7
      47.0      10.3
      49.0       2.3
      50.0      12.4
      51.0       7.3
      56.0       1.1
      61.0      11.5
      62.0       3.6
      63.0       2.8
      68.0      17.3
      69.0       1.0
      73.0       3.0
      74.0      10.7
      75.0       5.9
      92.0       4.0
      93.0       6.5
      94.0      98.1
      95.0       6.7
     122.0     100.0
     123.0       7.8
     166.0      58.9
     167.0       5.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₃ F O₃	0.038 g : 0.5 ml DMSO-d₆
3-fluorophthalic anhydride

    Assign.     Shift(ppm)

      A             8.056
      B             7.937
      C             7.854

     Hz     ppm     Int.

   3230.71   8.084    255
   3226.20   8.073    267
   3223.27   8.066    387
   3222.41   8.064    389
   3218.63   8.054    408
   3217.90   8.052    380
   3214.84   8.045    401
   3210.33   8.033    397
   3206.67   8.024     28
   3205.81   8.022     23
   3175.17   7.945   1000
   3171.63   7.937     64
   3171.26   7.936     64
   3167.72   7.927    743
   3147.71   7.877    430
   3147.22   7.875    449
   3138.55   7.854    690
   3130.13   7.833    362
   3129.52   7.831    369

KBr disc