613-33-2

4,4'-二甲基聯(lián)苯(613-33-2)Raman光譜

產(chǎn)品名稱:4,4'-二甲基聯(lián)苯

CAS:613-33-2

分子式:C14H14

分子量: 182.26

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

InChIKey: RZTDESRVPFKCBH-UHFFFAOYSA-N

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

Mass

MS-NW-4599          
4,4'-dimethylbiphenyl
C14H14              (Mass of molecular ion:    182)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      39.0       2.5
      51.0       1.8
      63.0       2.5
      64.0       1.1
      65.0       1.8
      76.0       2.8
      77.0       2.2
      82.0       1.0
      82.5       1.3
      83.0       1.3
      89.0       4.9
      90.0       5.5
      91.0       5.5
     115.0       3.6
     127.0       1.0
     128.0       2.3
     139.0       1.6
     141.0       2.1
     151.0       1.1
     152.0       6.1
     153.0       2.4
     164.0       1.2
     165.0      21.9
     166.0      10.9
     167.0      35.3
     168.0       5.1
     178.0       2.8
     179.0       2.3
     180.0       1.7
     181.0      26.5
     182.0     100.0
     183.0      15.0
     184.0       1.1

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₄	0.047 g : 0.5 ml CDCl₃
4,4'-dimethylbiphenyl

    Assign.     Shift(ppm)

      A             7.45
      B             7.21
      C             2.36

     Hz     ppm     Int.

    672.56   7.510    210
    670.63   7.489     85
    666.31   7.440    111
    664.25   7.417    449
    662.56   7.398     93
    649.06   7.248    312
    648.56   7.242    331
    642.69   7.177     63
    640.69   7.154    195
    640.00   7.147    139
    211.56   2.363   1000

¹H NMR	399.65 MHz
C₁₄ H₁₄	0.034 g : 0.5 ml CDCl₃
4,4'-dimethylbiphenyl

    Assign.     Shift(ppm)

      A             7.466
      B             7.220
      C             2.372

     Hz     ppm     Int.

   2990.36   7.483     65
   2988.28   7.478    352
   2986.45   7.473    132
   2982.06   7.462    147
   2980.10   7.457    411
   2978.03   7.452     69
   2891.48   7.236     62
   2889.40   7.230    285
   2888.92   7.229    321
   2886.84   7.224    105
   2883.06   7.214    100
   2880.98   7.209    282
   2880.37   7.208    231
   2878.42   7.203     45
    948.00   2.373   1000

in CDCl3