2-氯苯酚(95-57-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-氯苯酚

CAS:95-57-8

分子式:C6H5ClO

分子量: 128.56

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

InChIKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1Cl

Mass

MS-NW-0857          
o-chlorophenol
C6H5ClO             (Mass of molecular ion:    128)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.2
      31.0       1.3
      32.0       2.6
      37.0       2.9
      38.0       5.3
      39.0       7.7
      46.0       2.6
      49.0       1.1
      50.0       2.2
      51.0       1.0
      53.0       3.6
      61.0       2.5
      62.0       3.7
      63.0      17.3
      64.0      40.7
      65.0      12.8
      66.0       1.2
      73.0       4.5
      74.0       1.5
      75.0       1.7
      92.0      14.1
      93.0       1.7
      94.0       1.0
      99.0       3.6
     100.0       3.5
     101.0       1.3
     102.0       1.2
     128.0     100.0
     129.0       6.8
     130.0      31.4
     131.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl O	0.04 ml : 0.5 ml CDCl₃
o-chlorophenol

    Assign.     Shift(ppm)

      A             7.287
      B             7.159
      C             7.010
      D             6.853
      E             5.61

     Hz     ppm     Int.

    658.56   7.354    367
    658.13   7.349    404
    656.94   7.336    512
    656.44   7.330    512
    650.81   7.267    554
    650.38   7.262    552
    649.19   7.249    876
    648.69   7.244    806
    647.31   7.228    208
    643.88   7.190    377
    642.56   7.175    516
    640.94   7.157    571
    635.75   7.099    964
    634.06   7.080    768
    632.75   7.066    107
    631.69   7.054    556
    631.19   7.048    680
    629.56   7.030   1000
    629.06   7.024    930
    623.50   6.962    354
    623.06   6.957    364
    621.44   6.939    218
    620.63   6.930    847
    618.50   6.906    527
    613.75   6.853    458
    612.88   6.844    540
    611.69   6.830    410
    610.75   6.820    413
    606.00   6.767    356
    603.88   6.743    291
    502.19   5.608    695

in CDCl3