3218-49-3

3,4-二氯苯乙腈(3218-49-3)紅外圖譜(IR1)

產(chǎn)品名稱:3,4-二氯苯乙腈

CAS:3218-49-3

分子式:C8H5Cl2N

分子量: 186.04

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

InChIKey: QWZNCAFWRZZJMA-UHFFFAOYSA-N

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

Mass

MS-NW-7993          
(3,4-dichlorophenyl)acetonitrile
C8H5Cl2N            (Mass of molecular ion:    185)

   Source Temperature: 110 °C
   Sample Temperature:  60 °C
   Direct, 75 eV

      18.0       1.1
      36.0       1.0
      37.0       1.7
      38.0       1.5
      39.0       2.7
      43.0       2.0
      49.0       1.2
      50.0       3.4
      51.0       1.2
      56.5       2.5
      57.0       1.2
      57.5       1.7
      61.0       3.4
      62.0       3.6
      63.0       4.4
      64.0       1.3
      73.0       4.2
      74.0       3.7
      74.5       3.7
      75.0       4.8
      75.5       1.2
      84.0       1.5
      85.0       1.4
      86.0       1.4
      87.0       3.1
      88.0       3.0
      89.0       1.5
      92.5       2.0
      93.5       1.5
      97.0       1.5
      99.0       1.3
     109.0       2.0
     114.0       5.9
     115.0       2.0
     123.0      10.9
     124.0       2.3
     125.0       3.8
     148.0       1.0
     150.0     100.0
     151.0       9.1
     152.0      31.8
     153.0       3.0
     157.0       1.3
     159.0       2.0
     184.0       3.2
     185.0      36.8
     186.0       5.3
     187.0      23.2
     188.0       2.4
     189.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₅ Cl₂ N	0.05 g : 0.5 ml CDCl₃
(3,4-dichlorophenyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.44
      B             7.40
      C             7.175
      D             3.726

     Hz     ppm     Int.

    670.63   7.489    229
    668.56   7.465     48
    665.44   7.431    270
    663.38   7.408    398
    662.50   7.398    658
    658.44   7.352     52
    647.44   7.230    142
    646.75   7.222    238
    646.13   7.215    168
    645.31   7.206    153
    644.69   7.199    203
    643.56   7.186     96
    642.25   7.172     42
    639.06   7.136     82
    638.44   7.129    127
    637.06   7.114     88
    636.31   7.105    116
    635.69   7.098     79
    333.81   3.728   1000
    328.81   3.672     51

in CDCl3