1667-11-4

4-氯甲基聯(lián)苯(1667-11-4)紅外圖譜(IR1)

產(chǎn)品名稱:4-氯甲基聯(lián)苯

CAS:1667-11-4

分子式:C13H11Cl

分子量: 202.68

InChI:InChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2

InChIKey: HLQZCRVEEQKNMS-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=C(CCl)C=C1

Mass

MS-NW-7199          
4-(chloromethyl)biphenyl
C13H11Cl            (Mass of molecular ion:    202)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      39.0       2.5
      50.0       1.3
      51.0       2.2
      57.5       1.3
      62.0       1.2
      63.0       3.3
      65.0       1.2
      69.5       2.4
      70.5       1.9
      74.0       1.1
      75.0       1.2
      76.0       1.8
      77.0       1.1
      81.5       1.6
      82.0       6.2
      82.5       6.9
      83.0       4.2
      83.5       5.8
      87.0       1.0
      89.0       1.9
     101.0       3.1
     102.0       1.7
     115.0       3.4
     128.0       2.0
     139.0       2.7
     151.0       1.1
     152.0       7.7
     153.0       1.2
     163.0       1.9
     164.0       2.3
     165.0      19.6
     166.0       5.3
     167.0     100.0
     168.0      15.0
     169.0       1.1
     202.0      27.1
     203.0       4.1
     204.0       9.0
     205.0       1.3

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₁ Cl	0.045 g : 0.5 ml CDCl₃
4-(chloromethyl)biphenyl

    Assign.     Shift(ppm)

      A             7.57
      B             7.44
      C             7.44
      D             7.349
      E             4.614

     Hz     ppm     Int.

   3030.03   7.582    489
   3029.30   7.580    532
   3027.10   7.575    155
   3023.44   7.566    416
   3022.09   7.562    726
   3021.48   7.561    789
   3019.65   7.556    132
   3017.09   7.550     66
   3013.06   7.540     32
   2979.98   7.457    137
   2978.03   7.452    648
   2977.66   7.451    619
   2976.93   7.449    365
   2975.10   7.445    145
   2971.56   7.436    252
   2969.60   7.431    810
   2968.14   7.427    261
   2963.38   7.415    136
   2961.91   7.412    234
   2959.72   7.406     52
   2943.97   7.367    107
   2942.63   7.364    193
   2941.41   7.360    109
   2937.38   7.350     78
   2935.30   7.345    186
   2933.11   7.340     59
   2929.32   7.330     50
   2927.98   7.327     83
   2926.76   7.324     43
   1843.99   4.615   1000
   1842.41   4.611    320

¹H NMR	89.56 MHz
C₁₃ H₁₁ Cl	0.035 g : 0.5 ml CDCl₃
4-(chloromethyl)biphenyl

    Assign.     Shift(ppm)

      A          7.68 to 7.19
      B             4.613

     Hz     ppm     Int.

    683.44   7.632    201
    682.56   7.622    166
    681.13   7.606    169
    680.69   7.601    166
    679.19   7.584    133
    678.31   7.574    170
    677.13   7.561    246
    674.88   7.536    714
    673.69   7.523    668
    671.00   7.493    312
    669.25   7.473    767
    666.56   7.443    391
    665.63   7.433    359
    663.44   7.408    245
    662.94   7.403    289
    661.00   7.381    312
    660.13   7.371    364
    659.06   7.359    187
    658.38   7.352    303
    655.63   7.321    121
    654.06   7.304     70
    413.19   4.614   1000

in CDCl3