363-52-0

3-氟邻苯二酚(363-52-0)质谱(MS)

产品名称:3-氟邻苯二酚

CAS:363-52-0

分子式:C6H5FO2

分子量: 128.1

InChI:InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H

InChIKey: DXOSJQLIRGXWCF-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC(F)=C1O

Mass

MS-IW-2148          
3-fluoropyrocatechol
C6H5FO2             (Mass of molecular ion:    128)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.6
      27.0       1.1
      28.0       1.3
      29.0       2.0
      31.0       2.3
      37.0       1.7
      38.0       1.8
      39.0       3.2
      40.0       1.4
      45.0       1.4
      49.0       1.5
      50.0       4.2
      51.0      16.8
      52.0      25.9
      53.0       4.7
      54.0       2.9
      55.0       1.5
      56.0       2.2
      57.0       2.5
      61.0       1.4
      62.0       1.2
      63.0       5.8
      64.0       3.9
      68.0       1.2
      69.0       2.3
      70.0       3.1
      71.0       1.7
      73.0       1.1
      79.0       5.7
      80.0      27.8
      81.0       9.8
      82.0      17.6
      83.0       1.4
      99.0       6.0
     107.0       2.0
     108.0       6.6
     110.0       1.4
     127.0       4.8
     128.0     100.0
     129.0       6.7
     169.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ F O₂	0.039 g : 0.5 ml CDCl₃
3-fluoropyrocatechol

    Assign.     Shift(ppm)

      A             6.75
      B             6.72
      C             6.66
      D     *1      5.74
      E     *1      5.54
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   2707.15   6.774     81
   2701.54   6.760     55
   2698.97   6.754    240
   2693.36   6.740    271
   2691.16   6.734    399
   2689.33   6.730    330
   2688.60   6.728    302
   2686.40   6.722   1000
   2683.23   6.714     44
   2681.15   6.709    106
   2680.30   6.707    143
   2678.10   6.702     73
   2672.24   6.687    284
   2670.17   6.682    213
   2667.97   6.676     47
   2664.55   6.668    172
   2662.48   6.663    397
   2659.30   6.655    191
   2655.76   6.646    166
   2652.59   6.638    149
   2292.85   5.738    368
   2212.65   5.537    243

in CDCl3