4-氯聯(lián)苯基-4-醇(28034-99-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-氯聯(lián)苯基-4-醇

CAS:28034-99-3

分子式:C12H9ClO

分子量: 204.65

InChI:InChI=1S/C12H9ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

InChIKey: ICVFJPSNAUMFCW-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(Cl)C=C2)=CC=C(O)C=C1

Mass

MS-IW-2677          
4'-chloro-4-biphenylol
C12H9ClO            (Mass of molecular ion:    204)

   Source Temperature: 110 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.1
      28.0       1.3
      39.0       1.8
      50.0       1.1
      51.0       1.5
      55.0       2.3
      62.0       1.3
      63.0       3.0
      69.0       1.8
      69.5       2.5
      70.0       3.1
      74.0       1.4
      75.0       2.4
      84.0       4.9
      84.5       1.1
      86.0       1.0
      87.0       1.2
      89.0       1.8
     102.0       6.2
     103.0       2.0
     113.0       1.7
     114.0       1.7
     115.0       6.3
     139.0       9.0
     140.0       3.3
     141.0      13.2
     142.0       1.8
     149.0       3.3
     151.0       2.2
     152.0       1.4
     168.0       5.3
     169.0       2.9
     175.0       3.1
     203.0       2.1
     204.0     100.0
     205.0      14.0
     206.0      33.0
     207.0       4.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ Cl O	saturated in CDCl₃
4'-chloro-4-biphenylol

    Assign.     Shift(ppm)

      A             7.442
      B             7.425
      C             7.366
      D             6.898
      E             5.15

     Hz     ppm     Int.

   2982.18   7.462     67
   2979.74   7.456    485
   2977.66   7.451    200
   2974.98   7.444    103
   2973.14   7.440    296
   2972.05   7.437    752
   2970.95   7.434   1000
   2969.97   7.432    355
   2968.63   7.429    174
   2965.45   7.421    232
   2963.26   7.415    744
   2960.33   7.408     85
   2949.46   7.381    139
   2947.14   7.375    819
   2944.95   7.369    247
   2940.43   7.358    191
   2938.35   7.353    531
   2935.91   7.347     61
   2764.28   6.917     86
   2761.35   6.910    721
   2759.16   6.904    230
   2754.76   6.893    215
   2752.56   6.888    701
   2749.63   6.881     72
   2057.98   5.150    132

in CDCl3