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876-08-4

4-氯甲基苯甲酰氯(876-08-4)Raman光譜

產(chǎn)品名稱:4-氯甲基苯甲酰氯

CAS:876-08-4

分子式:C8H6Cl2O

分子量: 189.04

InChI:InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2

InChIKey: RCOVTJVRTZGSBP-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-4059          
p-(chloromethyl)benzoyl chloride
C8H6Cl2O            (Mass of molecular ion:    188)


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


          36.0       1.2
      38.0       1.3
      39.0       3.5
      44.0       1.6
      44.5       2.2
      45.0       3.1
      50.0       2.2
      51.0       2.2
      59.0       6.1
      62.0       4.8
      63.0       8.7
      64.0       2.1
      73.0       1.1
      75.0       1.1
      89.0      16.4
      90.0       9.5
      99.0       3.1
     101.0       1.0
     118.0       4.5
     125.0      29.9
     126.0       2.4
     127.0       9.7
     153.0     100.0
     154.0       9.0
     155.0      32.9
     156.0       2.9
     188.0       3.1
     190.0       2.0

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H6 Cl2 O 0.039 g : 0.5 ml DMSO-d6
    p-(chloromethyl)benzoyl chloride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.980
      B             7.578
      C             4.844
  

         Hz     ppm     Int.


       3195.68   7.997     80
   3193.85   7.992    459
   3192.14   7.988    188
   3187.38   7.976    176
   3185.55   7.971    547
   3032.84   7.589    459
   3026.12   7.572    150
   3024.29   7.568    443
   1935.91   4.845   1000

KBr disc

  • 圖譜

nujol mull

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