5-Fluorosalicylic acid(345-16-4) IR2

Product Name5-Fluorosalicylic acid

CAS 345-16-4

Molecular FormulaC7H5FO3

Molecular Weight156.11

InChIInChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)

InChIKey JWPRICQKUNODPZ-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(F)=CC=C1O

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Mass

MS2003-02008WA      
5-fluorosalicylic acid
C7H5FO3             (Mass of molecular ion:    156)

   Source Temperature: 250 °C
   Sample Temperature: 270 °C
   Reservoir, 70 eV

      31.0       2.7
      37.0       1.2
      38.0       1.5
      39.0       1.7
      44.0       2.9
      45.0       2.2
      50.0       2.0
      51.0       2.6
      53.0       3.5
      55.0       4.7
      56.0       3.5
      57.0      11.5
      61.0       2.9
      62.0       3.3
      63.0       8.2
      64.0       1.7
      69.0       2.2
      69.5       1.0
      74.0       1.0
      80.0       1.1
      81.0      10.1
      82.0      35.5
      83.0      13.0
      84.0       1.6
      94.0       1.2
      99.0       1.7
     110.0      66.9
     111.0       8.1
     112.0       4.7
     138.0     100.0
     139.0      13.1
     140.0       1.1
     153.0       3.7
     156.0      41.3
     157.0       3.2
     197.0       1.2
     212.0       2.3

400 MHz in DMSO-d6

in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ F O₃	0.039 g : 0.5 ml DMSO-d₆
5-fluorosalicylic acid

    Assign.     Shift(ppm)

      A             7.524
      B             7.410
      C             7.003

     Hz     ppm     Int.

   3013.18   7.540    854
   3010.01   7.532   1000
   3004.39   7.518    885
   3000.98   7.510    942
   2972.17   7.437    596
   2968.75   7.429    465
   2963.87   7.417    716
   2963.13   7.415    722
   2960.69   7.409    559
   2959.72   7.406    626
   2954.83   7.394    681
   2951.66   7.386    511
   2807.62   7.026    990
   2803.22   7.015    949
   2798.58   7.003    895
   2793.95   6.991    870