4-氯二苯甲醇(119-56-2)紅外圖譜(IR1)

產(chǎn)品名稱:4-氯二苯甲醇

CAS:119-56-2

分子式:C13H11ClO

分子量: 218.68

InChI:InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H

InChIKey: AJYOOHCNOXWTKJ-UHFFFAOYSA-N

Smiles:C1(=CC=C(Cl)C=C1)C(O)C1C=CC=CC=1

Mass

MS-NW-9970          
4-chlorobenzhydrol
C13H11ClO           (Mass of molecular ion:    218)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.4
      39.0       1.4
      50.0       2.7
      51.0       7.4
      52.0       1.4
      63.0       1.8
      74.0       1.3
      75.0       4.5
      76.0       3.4
      77.0      30.0
      78.0      16.8
      79.0      13.4
      81.5       1.1
      82.0       2.7
      82.5       2.1
      83.0       1.1
      91.0       1.2
     105.0     100.0
     106.0      11.9
     107.0       6.6
     111.0       6.6
     112.0       8.3
     113.0       6.5
     114.0       3.1
     115.0       2.0
     139.0      33.1
     140.0       4.2
     141.0      17.7
     142.0       1.8
     143.0       2.4
     152.0       3.0
     153.0       2.8
     154.0       1.1
     163.0       1.6
     164.0       1.6
     165.0       8.8
     166.0       4.0
     167.0       1.1
     181.0       1.0
     183.0      10.7
     184.0       1.5
     201.0       2.2
     217.0      10.0
     218.0      31.7
     219.0       7.7
     220.0      10.6
     221.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₁ Cl O	0.092 g : 0.5 ml CDCl₃
4-chlorobenzhydrol

    Assign.     Shift(ppm)

      A             7.28
      B          7.25 to 7.23
      C             7.227
      D             7.193
      E             5.619
      F             2.92

     Hz     ppm     Int.

   2916.87   7.299    153
   2914.92   7.294    129
   2909.67   7.281    376
   2908.33   7.278    372
   2905.88   7.272    227
   2902.83   7.264    660
   2896.48   7.248   1000
   2893.55   7.241    554
   2891.24   7.235    498
   2889.16   7.230    497
   2888.06   7.227    528
   2884.89   7.219    967
   2876.95   7.199    846
   2870.00   7.182    282
   2868.29   7.178    319
   2245.85   5.620    445
   1167.72   2.922    234

in CDCl3