612-75-9

3,3'-二甲基聯(lián)苯(612-75-9)質(zhì)譜(MS)

產(chǎn)品名稱:3,3'-二甲基聯(lián)苯

CAS:612-75-9

分子式:C14H14

分子量: 182.26

InChI:InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3

InChIKey: GVEDOIATHPCYGS-UHFFFAOYSA-N

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

Mass

MS-NW-8383          
3,3'-dimethylbiphenyl
C14H14              (Mass of molecular ion:    182)

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

      39.0       2.9
      51.0       2.1
      63.0       3.0
      64.0       1.3
      65.0       2.3
      75.0       1.1
      76.0       4.0
      77.0       2.5
      82.0       1.6
      82.5       1.9
      83.0       1.9
      89.0       6.7
      89.5       1.3
      90.0       5.5
      91.0       5.1
     115.0       4.2
     127.0       1.0
     128.0       2.4
     139.0       2.0
     141.0       2.0
     151.0       1.5
     152.0       8.2
     153.0       2.9
     163.0       1.0
     164.0       1.6
     165.0      22.1
     166.0      13.7
     167.0      30.7
     168.0       4.2
     178.0       2.6
     179.0       1.9
     181.0      18.3
     182.0     100.0
     183.0      15.2
     184.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₄	ca 10 mg : 0.5 ml CDCl₃
3,3'-dimethylbiphenyl

    Assign.     Shift(ppm)

      A             7.364
      B             7.34
      C             7.255
      D             7.089
      E             2.353

     Hz     ppm     Int.

   2945.43   7.371    135
   2944.82   7.369    186
   2943.73   7.366    264
   2942.99   7.364    310
   2942.38   7.363    267
   2941.28   7.360    227
   2940.55   7.358    177
   2939.82   7.356    150
   2939.09   7.355    148
   2938.48   7.353    157
   2937.87   7.352    153
   2936.65   7.349     88
   2936.04   7.347     72
   2932.13   7.337    140
   2931.52   7.336    171
   2930.91   7.334    190
   2930.30   7.333    206
   2929.69   7.331    170
   2929.08   7.330    139
   2928.47   7.328    113
   2906.74   7.274    185
   2899.17   7.255    297
   2891.36   7.235    150
   2838.38   7.103    120
   2837.65   7.101    153
   2837.16   7.100    173
   2836.55   7.098    187
   2835.94   7.097    166
   2835.45   7.095    149
   2834.72   7.094    113
   2830.93   7.084     93
   2830.20   7.082    121
   2829.71   7.081    135
   2829.10   7.079    150
   2828.49   7.078    133
   2827.27   7.075     89
    940.31   2.353   1000

in CDCl3