4-叔丁基聯(lián)苯(1625-92-9)質(zhì)譜(MS)

產(chǎn)品名稱:4-叔丁基聯(lián)苯

CAS:1625-92-9

分子式:C16H18

分子量: 210.31

InChI:InChI=1S/C16H18/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3

InChIKey: CDOYZTOFTGTGBC-UHFFFAOYSA-N

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

Mass

MS-IW-8676          
4-tert-butylbiphenyl
C16H18              (Mass of molecular ion:    210)

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

      39.0       1.4
      41.0       5.2
      51.0       1.3
      63.0       1.0
      70.5       1.0
      76.0       3.1
      77.0       3.2
      82.0       1.9
      82.5       3.3
      83.0       2.8
      83.5      10.9
      84.0       1.7
      88.0       1.1
      89.0       2.9
      91.0       1.9
      97.5       3.4
     115.0       2.5
     127.0       1.0
     128.0       1.2
     151.0       1.8
     152.0       6.3
     153.0       3.3
     154.0       3.4
     155.0      10.0
     156.0       1.3
     165.0       6.3
     166.0       2.7
     167.0      20.3
     168.0       2.8
     176.0       1.0
     177.0       1.0
     178.0       6.5
     179.0       3.9
     180.0       2.9
     193.0       1.3
     194.0       1.1
     195.0     100.0
     196.0      16.4
     197.0       1.3
     210.0      31.8
     211.0       5.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₈	0.039 g : 0.5 ml CDCl₃
4-tert-butylbiphenyl

    Assign.     Shift(ppm)

      A             7.581
      B             7.532
      C             7.461
      D             7.412
      E             7.311
      F             1.356

     Hz     ppm     Int.

   3035.03   7.595     63
   3033.69   7.591     76
   3027.71   7.576     44
   3026.61   7.574     86
   3025.51   7.571     75
   3015.38   7.546     86
   3013.31   7.540     34
   3008.91   7.529     45
   3006.71   7.524    145
   2985.23   7.470    143
   2983.03   7.465     41
   2978.64   7.454     34
   2976.56   7.448     82
   2969.97   7.432     34
   2969.36   7.430     48
   2962.04   7.412     91
   2960.69   7.409     42
   2954.22   7.393     54
   2927.86   7.327     38
   2920.53   7.308     44
    541.87   1.356   1000

in CDCl3