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4495-66-3

4‘-苄氧基苯丙酮(4495-66-3)核磁图(13CNMR)

分子式:C16H16O2

分子量: 240.3

InChI:InChI=1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChIKey: IKFGSOJYHVTNDV-UHFFFAOYSA-N

Smiles:C(C1=CC=C(OCC2=CC=CC=C2)C=C1)(=O)CC

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    Mass

    MS-IW-0757          
    4'-(benzyloxy)propiophenone
    C16H16O2            (Mass of molecular ion:    240)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          65.0       5.6
          91.0     100.0
          92.0       8.0
         211.0       6.5
         212.0       1.0
         240.0      19.3
         241.0       3.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C16 H16 O2 0.041 g : 0.5 ml CDCl3
    4'-(benzyloxy)propiophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.938 B 7.42 C 7.39 D 7.337 E 6.993 F 5.107 G 2.931 J 1.201

         Hz     ppm     Int.
    

       3179.93   7.957     62
       3177.12   7.950    481
       3175.05   7.945    163
       3170.17   7.933    170
       3168.09   7.928    498
       3165.28   7.921     71
       2971.44   7.436    105
       2969.60   7.431    152
       2967.41   7.426     76
       2962.89   7.414    402
       2961.55   7.411    373
       2959.84   7.407    309
       2958.86   7.404    309
       2956.67   7.399     92
       2951.90   7.387    406
       2950.20   7.382    151
       2945.92   7.372    112
       2944.21   7.367    169
       2938.48   7.353    100
       2936.77   7.349    149
       2934.81   7.344     79
       2932.74   7.339     66
       2929.93   7.332    143
       2926.76   7.324     40
       2924.56   7.318     38
       2922.97   7.314     48
       2802.25   7.012     66
       2799.32   7.005    492
       2797.36   7.000    164
       2792.48   6.988    162
       2790.41   6.983    470
       2787.60   6.976     66
       2041.02   5.108    877
       1182.37   2.959    153
       1175.17   2.941    490
       1167.85   2.923    505
       1160.64   2.905    170
        487.43   1.220    516
        480.22   1.202   1000
        472.90   1.184    495
    

in CDCl3

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KBr disc

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nujol mull

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