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947-91-1

联苯乙醛(947-91-1)Raman光谱

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

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    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

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

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4880 A,200 M,liquid

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