695-96-5

2-溴-4-氯苯酚(695-96-5)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴-4-氯苯酚

CAS:695-96-5

分子式:C6H4BrClO

分子量: 207.45

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

InChIKey: ZIYRDJLAJYTELF-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(Cl)C=C1Br

Mass

MS-NW-7114          
2-bromo-4-chlorophenol
C6H4BrClO           (Mass of molecular ion:    206)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      17.0       1.1
      18.0       5.0
      26.0       1.0
      28.0       4.5
      29.0       1.3
      31.0       1.8
      36.0       1.5
      37.0       6.1
      38.0       5.5
      39.0       3.7
      48.0       1.4
      49.0       5.2
      50.0       3.5
      53.0       7.7
      60.0       1.7
      61.0       6.9
      62.0      11.7
      63.0      41.8
      64.0       5.2
      66.0       1.3
      71.0       1.8
      72.0       3.6
      73.0       9.2
      74.0       3.3
      75.0       3.4
      85.0       2.3
      86.0       2.3
      91.0       1.8
      92.0       1.6
      97.0       1.9
      98.0      25.5
      99.0      24.4
     100.0       9.8
     101.0       8.3
     103.0       3.1
     104.0       4.1
     105.0       1.2
     117.0       1.2
     119.0       1.3
     126.0       9.7
     127.0       6.7
     128.0       4.2
     129.0       2.5
     143.0       1.4
     170.0       1.2
     172.0       1.1
     177.0       1.8
     179.0       2.4
     206.0      75.2
     207.0       5.7
     208.0     100.0
     209.0       6.9
     210.0      24.0
     211.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Br Cl O	0.030 g : 0.5 ml CDCl₃
2-bromo-4-chlorophenol

    Assign.     Shift(ppm)

      A             7.457
      B             7.189
      C             6.954
      D             5.49
     
     J(A,B)=2.4HZ
     J(B,C)=8.7HZ

     Hz     ppm     Int.

   2981.57   7.461    790
   2979.13   7.455    820
   2976.56   7.448     28
   2879.03   7.204    321
   2876.59   7.198    303
   2870.24   7.182    384
   2867.80   7.176    366
   2783.20   6.965    822
   2776.86   6.949     27
   2774.54   6.943    698
   2192.02   5.485   1000

in CDCl3