5-Fluoro-1,3-isobenzofurandione(319-03-9) ¹H NMR

Product Name5-Fluoro-1,3-isobenzofurandione

CAS 319-03-9

Molecular FormulaC8H3FO3

Molecular Weight166.11

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

InChIKey XVMKZAAFVWXIII-UHFFFAOYSA-N

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

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5-Fluoro-1,3-isobenzofurandione(319-03-9) <sup>1</sup>H NMR
Mass

MS-IW-4946          
4-fluorophthalic anhydride
C8H3FO3             (Mass of molecular ion:    166)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      28.0       1.9
      31.0       2.8
      37.0       6.0
      38.0       1.6
      47.0       5.0
      49.0       2.2
      50.0      15.5
      51.0      10.4
      56.0       1.1
      61.0      10.4
      62.0       3.8
      63.0       3.0
      68.0      11.7
      73.0       3.5
      74.0      11.6
      75.0       5.8
      92.0       3.8
      93.0       6.7
      94.0      92.1
      95.0       6.5
     122.0     100.0
     123.0       7.9
     166.0      39.9
     167.0       3.4

400 MHz in CDCl3

5-Fluoro-1,3-isobenzofurandione(319-03-9) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₈ H₃ F O₃	0.040 g : 0.5 ml CDCl₃
4-fluorophthalic anhydride

    Assign.     Shift(ppm)

      A             8.076
      B             7.700
      C             7.629

     Hz     ppm     Int.

   3234.62   8.094    576
   3234.01   8.093    571
   3230.22   8.083    625
   3229.74   8.082    574
   3226.20   8.073    665
   3225.71   8.072    624
   3221.80   8.062    625
   3221.31   8.061    604
   3082.15   7.713    599
   3081.67   7.711    584
   3079.83   7.707    671
   3079.35   7.706    641
   3075.56   7.696    584
   3074.95   7.695    582
   3073.24   7.690    689
   3072.75   7.689    621
   3058.47   7.653    572
   3056.15   7.648    494
   3054.44   7.643     42
   3050.05   7.632   1000
   3047.73   7.626    851
   3041.50   7.611    539
   3039.31   7.605    435

in CDCl3