3-甲基聯(lián)苯(643-93-6)紅外圖譜(IR1)

產(chǎn)品名稱:3-甲基聯(lián)苯

CAS:643-93-6

分子式:C13H12

分子量: 168.23

InChI:InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey: NPDIDUXTRAITDE-UHFFFAOYSA-N

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

Mass

MS-NW-3088          
3-methylbiphenyl
C13H12              (Mass of molecular ion:    168)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      39.0       2.7
      50.0       1.3
      51.0       2.6
      62.0       1.1
      63.0       3.0
      65.0       1.8
      69.5       1.1
      74.0       1.1
      75.0       1.3
      76.0       2.3
      77.0       1.8
      82.0       3.2
      82.5       3.2
      83.0       4.1
      83.5       1.4
      84.0       2.3
      89.0       2.5
      90.0       1.4
      91.0       4.6
     102.0       1.2
     115.0       4.1
     126.0       1.0
     127.0       1.3
     128.0       2.8
     139.0       2.2
     141.0       2.5
     151.0       2.2
     152.0      13.3
     153.0      10.2
     154.0       1.8
     163.0       1.1
     164.0       1.4
     165.0      15.7
     166.0       6.5
     167.0      45.5
     168.0     100.0
     169.0      13.9
     181.0       1.3
     182.0       5.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₂	0.05 ml : 0.5 ml CDCl₃
3-methylbiphenyl

    Assign.     Shift(ppm)

      A             7.545
      B          7.38 to 7.36
      C             7.287
      D             7.120
      E             2.369

     Hz     ppm     Int.

   3021.48   7.561    300
   3020.14   7.557    355
   3018.07   7.552    116
   3016.72   7.549     48
   3014.04   7.542    217
   3013.06   7.540    378
   3012.33   7.538    308
   3011.84   7.537    346
   3009.89   7.532     60
   2957.15   7.400     95
   2956.30   7.398    176
   2955.44   7.396    238
   2953.61   7.391    121
   2948.12   7.377    612
   2946.66   7.374    449
   2941.89   7.362    156
   2940.43   7.358    282
   2939.94   7.357    282
   2938.84   7.354    190
   2938.23   7.353    209
   2937.62   7.351    198
   2920.78   7.309     37
   2919.19   7.305    124
   2917.85   7.302    271
   2916.75   7.299    221
   2912.60   7.288    108
   2910.16   7.282    357
   2904.54   7.268     66
   2903.20   7.265    123
   2901.98   7.262    157
   2847.66   7.126    154
   2847.17   7.125    145
   2840.82   7.109    131
   2840.21   7.107    139
    946.78   2.370   1000

in CDCl3