ALPHA,ALPHA-二氯甲苯(二氯甲苯)(98-87-3)Raman光譜

產(chǎn)品名稱:ALPHA,ALPHA-二氯甲苯(二氯甲苯)

CAS:98-87-3

分子式:C7H6Cl2

分子量: 161.03

InChI:InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H

InChIKey: CAHQGWAXKLQREW-UHFFFAOYSA-N

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

Mass

MS-NW-8488          
benzylidene dichloride
C7H6Cl2             (Mass of molecular ion:    160)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      36.0       1.7
      37.0       1.7
      38.0       3.3
      39.0       7.9
      43.0       1.9
      44.0       2.3
      44.5       2.7
      49.0       1.1
      50.0       4.7
      51.0       5.2
      61.0       2.4
      62.0       7.3
      62.5       2.8
      63.0      13.3
      64.0       2.4
      65.0       2.7
      73.0       2.9
      74.0       1.0
      75.0       1.8
      77.0       1.4
      86.0       1.3
      87.0       1.1
      89.0      19.9
      90.0       5.4
      91.0       8.6
      99.0       5.7
     101.0       1.7
     125.0     100.0
     126.0       9.4
     127.0      32.0
     128.0       3.0
     160.0       8.0
     161.0       1.2
     162.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl₂	0.04 ml : 0.5 ml CDCl₃
benzylidene dichloride

    Assign.     Shift(ppm)

      A             7.56
      B          7.48 to 7.28
      C             6.695

     Hz     ppm     Int.

    683.06   7.627    126
    681.44   7.609     98
    681.13   7.606     94
    680.75   7.602     90
    680.38   7.597     96
    679.44   7.587    221
    679.00   7.582    202
    677.69   7.567    183
    675.50   7.543    310
    674.63   7.533    223
    672.94   7.514    475
    670.81   7.491    122
    669.56   7.477     98
    667.75   7.456    153
    666.88   7.447    157
    666.25   7.440    216
    664.06   7.415    545
    663.63   7.410    615
    663.00   7.403    531
    661.13   7.382    377
    660.44   7.375    394
    659.88   7.369    586
    658.69   7.355    298
    657.81   7.345    280
    656.88   7.335    619
    656.06   7.326    161
    654.19   7.305     55
    653.31   7.295     56
    599.63   6.696   1000

in CDCl3

CCl4 solution

liquid film

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