19652-32-5

3-溴-5-氯水杨醛(19652-32-5)红外图谱(IR2)

产品名称:3-溴-5-氯水杨醛

CAS:19652-32-5

分子式:C7H4BrClO2

分子量: 235.46

InChI:InChI=1S/C7H4BrClO2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,11H

InChIKey: KNOYZLVIXXBBIB-UHFFFAOYSA-N

Smiles:C(=O)C1=CC(Cl)=CC(Br)=C1O

Mass

MS-KW-0092          
3-bromo-5-chlorosalicylaldehyde
C7H4BrClO2          (Mass of molecular ion:    234)

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

      17.0       1.7
      18.0       8.5
      28.0       1.8
      29.0       2.7
      37.0       3.0
      38.0       2.5
      39.0       2.1
      49.0       2.4
      50.0       2.1
      53.0       4.6
      60.0       1.2
      61.0       5.9
      62.0       9.9
      63.0      19.7
      64.0       2.8
      66.0       1.0
      71.0       1.2
      72.0       2.2
      73.0       5.4
      74.0       3.3
      75.0       2.2
      85.0       2.1
      86.0       1.8
      90.0       1.4
      91.0       2.2
      97.0       4.7
      98.0       4.0
      99.0       7.5
     100.0       1.7
     101.0       2.2
     103.0       2.7
     104.0       3.4
     105.0       1.0
     109.0       4.8
     111.0       1.5
     117.0       3.3
     118.0       3.4
     119.0       1.6
     125.0       1.2
     126.0      14.8
     127.0       2.0
     128.0       5.1
     137.0       1.1
     143.0       1.0
     153.0       1.2
     177.0       5.5
     179.0       7.2
     181.0       1.8
     188.0       5.8
     190.0       7.5
     192.0       1.9
     205.0       1.2
     206.0       3.3
     207.0       1.8
     208.0       3.4
     216.0       8.2
     218.0      10.7
     219.0       1.0
     220.0       2.6
     233.0      43.3
     234.0      78.7
     235.0      62.2
     236.0     100.0
     237.0      21.1
     238.0      24.4
     239.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ Br Cl O₂	0.039 g : 0.5 ml CDCl₃
3-bromo-5-chlorosalicylaldehyde

    Assign.     Shift(ppm)

      A            11.5
      B             9.821
      C             7.766
      D             7.535

     Hz     ppm     Int.

   4591.80  11.490    670
   3925.07   9.822   1000
   3922.69   9.816     24
   3105.22   7.770    361
   3102.84   7.764    378
   3016.20   7.548     22
   3012.91   7.539    506
   3010.52   7.533    486

in CDCl3