108-43-0

3-氯苯酚(108-43-0)质谱(MS)

产品名称:3-氯苯酚

CAS:108-43-0

分子式:C6H5ClO

分子量: 128.56

InChI:InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H

InChIKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC(Cl)=C1

Mass

MS-NW-1845          
m-chlorophenol
C6H5ClO             (Mass of molecular ion:    128)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      17.0       1.1
      18.0       5.0
      26.0       2.4
      27.0       2.5
      28.0       2.5
      29.0       3.3
      31.0       3.1
      32.0       3.6
      36.0       1.4
      37.0       9.0
      38.0      15.5
      39.0      30.6
      40.0       1.5
      42.0       1.1
      46.0       3.2
      47.0       1.1
      49.0       3.0
      50.0       7.7
      51.0       3.7
      53.0       8.5
      55.0       1.9
      60.0       2.0
      61.0       7.1
      62.0      10.7
      63.0      25.4
      64.0      26.7
      65.0      63.0
      66.0       4.7
      72.0       1.3
      73.0       9.7
      74.0       4.5
      75.0       4.4
      89.0       2.3
      92.0       6.3
      93.0       6.4
      99.0       8.8
     100.0      16.5
     101.0       3.6
     102.0       5.4
     128.0     100.0
     129.0       6.9
     130.0      32.1
     131.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ Cl O	0.05 ml : 0.5 ml CDCl₃
m-chlorophenol

    Assign.     Shift(ppm)

      A             7.109
      B             6.907
      C             6.839
      D             6.704
      E             6.27

     Hz     ppm     Int.

   2849.85   7.131    404
   2841.80   7.111    816
   2833.62   7.091    518
   2765.50   6.920    373
   2764.53   6.918    385
   2763.55   6.915    403
   2762.70   6.913    354
   2760.86   6.909     34
   2757.45   6.900    313
   2756.59   6.898    300
   2755.49   6.895    349
   2754.64   6.893    297
   2735.60   6.845    542
   2733.40   6.840    708
   2731.20   6.834    465
   2684.57   6.718    388
   2683.72   6.716    342
   2682.13   6.712    343
   2681.15   6.709    294
   2676.39   6.697    340
   2675.42   6.695    306
   2673.83   6.691    304
   2672.97   6.689    269
   2506.35   6.272   1000

in CDCl3