1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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6575-00-4

3,5-二氯苯腈(6575-00-4)核磁圖(1HNMR)

產(chǎn)品名稱: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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