3964-56-5

4-溴-2-氯苯酚(3964-56-5)紅外圖譜(IR1)

產(chǎn)品名稱:4-溴-2-氯苯酚

CAS:3964-56-5

分子式:C6H4BrClO

分子量: 207.45

InChI:InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChIKey: VIBJPUXLAKVICD-UHFFFAOYSA-N

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

Mass

MS-IW-9719          
4-bromo-2-chlorophenol
C6H4BrClO           (Mass of molecular ion:    206)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.2
      36.0       1.5
      37.0       4.4
      38.0       4.4
      39.0       2.8
      48.0       1.1
      49.0       4.4
      50.0       3.3
      53.0       5.9
      60.0       1.3
      61.0       5.8
      62.0      10.2
      63.0      46.5
      64.0       5.9
      71.0       1.8
      72.0       2.8
      73.0       7.2
      74.0       3.1
      75.0       3.0
      91.0       6.7
      92.0       1.2
      97.0       1.5
      98.0       1.7
      99.0      14.6
     100.0       1.4
     101.0       4.5
     103.0       3.8
     104.0       4.8
     105.0       1.3
     117.0       1.4
     119.0       1.3
     126.0       3.2
     127.0       7.9
     128.0       1.7
     129.0       3.0
     142.0       9.9
     143.0       1.7
     144.0       9.6
     145.0       1.3
     170.0       7.9
     172.0       7.6
     177.0       1.6
     179.0       2.1
     206.0      77.3
     207.0       5.7
     208.0     100.0
     209.0       6.8
     210.0      24.2
     211.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Br Cl O	0.038 g : 0.5 ml CDCl₃
4-bromo-2-chlorophenol

    Assign.     Shift(ppm)

      A             7.457
      B             7.283
      C             6.902
      D             5.54

     Hz     ppm     Int.

   2981.32   7.460    931
   2979.00   7.455   1000
   2975.71   7.446     25
   2916.38   7.298    525
   2914.06   7.292    476
   2911.38   7.285     24
   2911.01   7.284     25
   2910.40   7.283     25
   2907.71   7.276    543
   2905.27   7.270    512
   2762.82   6.914    964
   2754.15   6.892    894
   2213.13   5.538    459

in CDCl3