對氯苯酚(106-48-9)質(zhì)譜(MS)

產(chǎn)品名稱:對氯苯酚

CAS:106-48-9

分子式:C6H5ClO

分子量: 128.56

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

InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N

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

Mass

MS-NW-1848          
p-chlorophenol
C6H5ClO             (Mass of molecular ion:    128)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.6
      27.0       1.6
      28.0       1.6
      29.0       1.9
      31.0       1.8
      32.0       2.4
      36.0       1.0
      37.0       6.1
      38.0       9.0
      39.0      19.0
      46.0       2.7
      47.0       1.1
      49.0       2.3
      50.0       6.1
      51.0       2.9
      53.0       5.6
      55.0       1.5
      60.0       1.4
      61.0       5.4
      62.0       8.0
      63.0      16.9
      64.0      16.5
      65.0      48.9
      66.0       3.3
      72.0       1.6
      73.0       9.4
      74.0       3.7
      75.0       3.7
      89.0       1.3
      92.0       3.4
      93.0       4.9
      99.0       7.9
     100.0      14.4
     101.0       3.4
     102.0       4.9
     127.0       1.1
     128.0     100.0
     129.0       6.9
     130.0      32.2
     131.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl O	0.046 g : 0.5 ml CDCl₃
p-chlorophenol

    Assign.     Shift(ppm)

      A             7.172
      B             6.755
      C             5.23

     Hz     ppm     Int.

    651.00   7.269     49
    647.75   7.233    619
    645.38   7.207    219
    643.38   7.184     24
    641.06   7.158    245
    638.69   7.132    954
    635.50   7.096    115
    611.94   6.833    107
    608.69   6.797   1000
    606.31   6.770    272
    603.44   6.738     23
    602.00   6.722    211
    599.69   6.696    643
    596.44   6.660     57
    468.06   5.227    909

in CDCl3