947-91-1

联苯乙醛(947-91-1)质谱(MS)

产品名称:联苯乙醛

CAS:947-91-1

分子式:C14H12O

分子量: 196.25

InChI:InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H

InChIKey: HLLGFGBLKOIZOM-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)(C1C=CC=CC=1)C=O

¹HNMR

IR1

Raman

Mass

MS-KW-0947          
diphenylacetaldehyde
C14H12O             (Mass of molecular ion:    196)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       3.4
      50.0       1.5
      51.0       4.2
      62.0       1.0
      63.0       3.4
      65.0       2.3
      69.5       1.3
      75.0       1.1
      76.0       3.0
      77.0       7.4
      82.0       2.9
      82.5       3.8
      83.0       3.3
      89.0       3.1
      91.0       2.1
     105.0      15.3
     106.0       1.2
     115.0       3.0
     128.0       2.1
     139.0       2.3
     151.0       2.5
     152.0      19.9
     153.0       3.5
     163.0       2.0
     164.0       2.9
     165.0      31.3
     166.0      12.3
     167.0     100.0
     168.0      15.6
     169.0       1.1
     176.0       1.6
     177.0       1.1
     178.0       9.0
     179.0       1.9
     182.0       2.2
     196.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
diphenylacetaldehyde

    Assign.     Shift(ppm)

      A             9.888
      B             7.321
      C             7.260
      D             7.186
      E             4.848

     Hz     ppm     Int.

   3953.09   9.892    851
   3950.65   9.886    880
   2935.79   7.346    258
   2934.42   7.343    469
   2932.59   7.338    231
   2929.08   7.330    297
   2927.25   7.325   1000
   2925.72   7.321    662
   2921.30   7.310    417
   2919.77   7.306    888
   2919.16   7.305    630
   2917.48   7.301    208
   2908.78   7.279    265
   2907.41   7.275    530
   2906.19   7.272    351
   2902.37   7.263    196
   2900.24   7.257    538
   2897.49   7.251    166
   2894.13   7.242    133
   2892.76   7.239    212
   2891.39   7.235    125
   2877.04   7.199    779
   2876.43   7.198    710
   2875.52   7.196    981
   2874.91   7.194    992
   2873.23   7.190    285
   2872.77   7.189    277
   2869.57   7.181    432
   2868.80   7.179    603
   2868.19   7.177    729
   2867.28   7.175    611
   2866.82   7.174    509
   2864.99   7.169    132
   2864.53   7.168    125
   1938.48   4.851    302
   1936.04   4.845    288

liquid film