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6575-00-4

3,5-二氯苯腈(6575-00-4)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):3,5-二氯苯腈

CAS:6575-00-4

分子式:C7H3Cl2N

分子量: 172.01

InChI:InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

InChIKey: PUJSUOGJGIECFQ-UHFFFAOYSA-N

Smiles:C(#N)C1=CC(Cl)=CC(Cl)=C1

  • 圖譜
    Mass 

    MS-NW-6528          
3,5-dichlorobenzonitrile
C7H3Cl2N            (Mass of molecular ion:    171)


       Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          36.0       1.0
      37.0       2.9
      38.0       1.6
      49.0       2.4
      50.0      10.4
      50.5       1.1
      51.0       1.4
      60.0       1.4
      61.0       1.8
      62.0       1.5
      67.5       1.4
      72.0       1.7
      73.0       3.4
      74.0       5.3
      75.0       6.8
      76.0       2.5
      84.0       2.6
      85.0       2.4
      85.5       3.5
      86.0       1.8
      86.5       2.1
      87.0       1.1
      99.0       4.0
     100.0      15.9
     101.0       2.1
     109.0       2.8
     110.0       2.4
     111.0       1.4
     135.0       2.5
     136.0      18.4
     137.0       2.2
     138.0       6.1
     171.0     100.0
     172.0       8.4
     173.0      64.3
     174.0       5.2
     175.0      10.7

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H3 Cl2 N 0.040 g : 0.5 ml CDCl3
    3,5-dichlorobenzonitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.602
      B             7.548
     
     CONFIRMED BY LAOCN PROGRAM.
  

         Hz     ppm     Int.


        683.25   7.629    117
    681.75   7.613    175
    681.06   7.605    247
    679.56   7.588    435
    676.75   7.557   1000
    675.06   7.538    416
    674.56   7.532    304

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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