3215-64-3

2,6-二氯苯乙腈(3215-64-3)質(zhì)譜(MS)

產(chǎn)品名稱:2,6-二氯苯乙腈

CAS:3215-64-3

分子式:C8H5Cl2N

分子量: 186.04

InChI:InChI=1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

InChIKey: AOEJUUCUKRUCEF-UHFFFAOYSA-N

Smiles:C1(CC#N)=C(Cl)C=CC=C1Cl

Mass

MS2015-05136CW      
(2,6-dichlorophenyl)acetonitrile
C8H5Cl2N            (Mass of molecular ion:    185)

   Source Temperature: 240 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      37.0       1.0
      38.0       1.1
      39.0       1.7
      43.0       1.2
      50.0       2.0
      51.0       1.1
      56.5       1.9
      57.5       1.1
      61.0       3.3
      62.0       3.9
      63.0       4.2
      64.0       1.3
      73.0       3.7
      74.0       3.2
      75.0       3.8
      76.0       1.0
      84.0       1.3
      85.0       1.4
      86.0       1.9
      87.0       4.5
      88.0       4.2
      89.0       2.2
      92.5       2.0
      93.5       1.3
      97.0       1.6
      99.0       1.4
     109.0       1.3
     111.0       1.0
     114.0      29.7
     115.0       4.4
     123.0      12.4
     124.0       2.9
     125.0       4.2
     148.0       1.4
     149.0      14.8
     150.0     100.0
     151.0      13.2
     152.0      31.5
     153.0       2.8
     157.0       1.3
     158.0       2.1
     159.0       3.2
     160.0       1.5
     161.0       1.7
     184.0       2.1
     185.0      64.3
     186.0       7.0
     187.0      41.2
     188.0       3.9
     189.0       6.6

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₈ H₅ Cl₂ N	0.043 g : 0.5 ml CDCl₃
(2,6-dichlorophenyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.37
      B             7.25
      C             4.004

     Hz     ppm     Int.

    667.19   7.450     88
    662.44   7.397    150
    657.13   7.338    570
    654.00   7.303    390
    650.38   7.262     51
    649.25   7.250    131
    643.88   7.190     50
    639.13   7.137     35
    358.63   4.005   1000