3,5-Difluorophenol(2713-34-0) IR1

Product Name3,5-Difluorophenol

CAS 2713-34-0

Molecular FormulaC6H4F2O

Molecular Weight130.09

InChIInChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChIKey HJSSBIMVTMYKPD-UHFFFAOYSA-N

SmilesC1(O)=CC(F)=CC(F)=C1

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Mass

MS-KW-0176          
3,5-difluorophenol
C6H4F2O             (Mass of molecular ion:    130)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.6
      29.0       1.2
      31.0       5.4
      37.0       1.9
      38.0       2.3
      39.0       1.1
      50.0       3.0
      51.0       8.6
      52.0       4.1
      53.0       1.2
      55.0       1.2
      56.0       2.7
      57.0       7.8
      61.0       2.6
      62.0       3.0
      63.0       7.9
      65.0       4.7
      68.0       1.4
      71.0       1.1
      73.0       1.1
      75.0       5.8
      76.0       3.1
      80.0       1.0
      81.0       8.4
      82.0      17.1
      83.0       4.5
      99.0       2.2
     100.0       1.6
     101.0      32.9
     102.0      34.3
     103.0       1.9
     112.0       2.0
     113.0       1.0
     129.0       2.0
     130.0     100.0
     131.0       6.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₂ O	0.038 g : 0.5 ml CDCl₃
3,5-difluorophenol

    Assign.     Shift(ppm)

      A             6.42
      B             6.38
      C             5.29

     Hz     ppm     Int.

   2575.56   6.445    136
   2573.36   6.440    248
   2571.17   6.434    199
   2569.09   6.429     35
   2566.53   6.422    234
   2564.33   6.417    544
   2562.13   6.411    450
   2557.37   6.400    173
   2556.64   6.398    156
   2554.93   6.393    873
   2552.73   6.388    675
   2549.07   6.379     36
   2546.39   6.372    743
   2544.43   6.367    422
   2541.50   6.360     24
   2114.01   5.290   1000

in CDCl3