3,4-二氟氯苯(696-02-6)紅外圖譜(IR1)

產(chǎn)品名稱:3,4-二氟氯苯

CAS:696-02-6

分子式:C6H3ClF2

分子量: 148.54

InChI:InChI=1S/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChIKey: OPQMRQYYRSTBME-UHFFFAOYSA-N

Smiles:C1(F)=CC=C(Cl)C=C1F

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0520          
4-chloro-1,2-difluorobenzene
C6H3ClF2            (Mass of molecular ion:    148)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       2.9
      37.0       2.0
      38.0       1.0
      50.0       2.5
      56.0       2.1
      57.0       1.4
      61.0       2.8
      62.0       5.0
      63.0      14.1
      68.0       3.1
      69.0       1.3
      73.0       1.2
      74.0       7.5
      75.0       3.2
      81.0       2.4
      88.0       1.7
      92.0       1.4
      93.0       3.1
      94.0       1.0
      97.0       2.0
     112.0       6.3
     113.0      39.7
     114.0       2.6
     148.0     100.0
     149.0       6.8
     150.0      32.2
     151.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆H₃ClF₂	0.05 ml : 0.5 ml CDCl₃
4-chloro-1,2-difluorobenzene

    Assign.     Shift(ppm)

     A           7.177
     B           7.08
     C           7.06

     Hz     ppm     Int.

   2875.25   7.193    359
   2872.81   7.186    382
   2868.29   7.175    346
   2865.61   7.168    464
   2862.80   7.161    321
   2858.65   7.151    234
   2857.67   7.149    268
   2856.69   7.146    260
   2855.84   7.144    263
   2848.03   7.124    227
   2839.12   7.102    532
   2831.55   7.083    532
   2829.59   7.078    552
   2827.89   7.074    466
   2827.03   7.072    428
   2825.69   7.069    424
   2824.47   7.065    405
   2822.76   7.061   1000
   2820.56   7.056    554
   2819.10   7.052    172
   2818.12   7.050    187
   2816.78   7.046    128
   2815.68   7.044    158
   2813.97   7.039    140
   2811.53   7.033    122

in CDCl3