二苯基甲烷(101-81-5)紅外圖譜(IR1)

產(chǎn)品名稱:二苯基甲烷

CAS:101-81-5

分子式:C13H12

分子量: 168.23

InChI:InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey: CZZYITDELCSZES-UHFFFAOYSA-N

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

Mass

MS-NW-0062          
diphenylmethane
C13H12              (Mass of molecular ion:    168)

   Source Temperature: 230 °C
   Sample Temperature:  55 °C
   Reservoir, 75 eV

      28.0       5.3
      32.0       1.3
      39.0       4.8
      50.0       1.9
      51.0       4.8
      62.0       1.2
      63.0       4.2
      64.0       1.0
      65.0       7.6
      69.5       1.3
      71.0       1.2
      74.0       1.0
      75.0       1.1
      76.0       1.9
      77.0       2.1
      81.5       1.0
      82.0       4.7
      82.5       4.7
      83.0       7.0
      83.5       1.2
      84.0       1.9
      89.0       5.0
      90.0       3.1
      91.0      16.7
      92.0       1.3
     113.0       1.1
     115.0       4.2
     128.0       2.7
     139.0       2.5
     141.0       2.5
     151.0       1.8
     152.0      16.7
     153.0      16.2
     154.0       2.0
     163.0       1.9
     164.0       2.6
     165.0      28.5
     166.0      10.2
     167.0      86.6
     168.0     100.0
     169.0      13.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₂	0.05 ml : 0.5 ml CDCl₃
diphenylmethane

    Assign.     Shift(ppm)

      A             7.236
      B             7.15
      C             3.931

     Hz     ppm     Int.

   2901.86   7.262    122
   2900.39   7.258    317
   2899.54   7.256    469
   2897.83   7.251    242
   2896.61   7.248    160
   2894.29   7.243    344
   2892.94   7.239    638
   2891.97   7.237    841
   2890.99   7.234    676
   2889.04   7.229    319
   2884.77   7.219    893
   2882.93   7.214    279
   2863.40   7.165    592
   2861.08   7.159    967
   2860.72   7.159    968
   2859.86   7.156    937
   2857.79   7.151    591
   2856.69   7.148    668
   2854.25   7.142    471
   2853.64   7.141    556
   2853.03   7.139    688
   2852.29   7.137    699
   2851.68   7.136    678
   2851.07   7.134    531
   2849.61   7.131    333
   1571.04   3.932   1000

in CDCl3