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836-43-1

4-苄氧基苄醇(836-43-1)Raman光谱

产品名称:4-苄氧基苄醇

CAS:836-43-1

分子式:C14H14O2

分子量: 214.26

InChI:InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2

InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8050          
    p-(benzyloxy)benzyl alcohol
    C14H14O2            (Mass of molecular ion:    214)
    

       Source Temperature: 150 °C
       Sample Temperature:  80 °C
       Direct, 75 eV
    

          39.0       3.7
          41.0       2.3
          51.0       2.1
          63.0       1.7
          65.0       9.8
          66.0       1.0
          67.0       1.1
          77.0       1.6
          89.0       1.6
          91.0     100.0
          92.0       7.8
         214.0      14.3
         215.0       2.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C14 H14 O2 0.031 g : 0.5 ml CDCl3
    p-(benzyloxy)benzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.41 B 7.371 C 7.315 D 7.258 E 6.947 F 5.045 G 4.569 J 1.87

         Hz     ppm     Int.
    

       2969.73   7.431    171
       2968.02   7.427    235
       2965.94   7.422    107
       2961.30   7.410    431
       2960.69   7.409    412
       2960.08   7.407    373
       2955.81   7.396     50
       2953.74   7.391    218
       2952.64   7.389    298
       2950.68   7.384    106
       2945.56   7.371    506
       2943.85   7.367    198
       2941.53   7.361     45
       2939.58   7.356    138
       2937.87   7.352    228
       2936.16   7.347     49
       2930.05   7.332    119
       2928.47   7.328    190
       2926.76   7.324    103
       2924.07   7.317     78
       2921.39   7.310    188
       2918.58   7.303     56
       2915.77   7.296     49
       2914.31   7.293     64
       2912.84   7.289     42
       2910.89   7.284     31
       2910.40   7.283     31
       2908.33   7.278     70
       2905.52   7.271    435
       2903.32   7.265    157
       2898.93   7.254    173
       2896.73   7.249    503
       2893.92   7.242     71
       2783.45   6.965     91
       2780.64   6.958    596
       2778.44   6.953    192
       2773.93   6.941    186
       2771.85   6.936    521
       2769.04   6.929     66
       2016.24   5.046   1000
       1825.93   4.569    856
        749.02   1.875     83
    

in CDCl3

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KBr disc

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nujol mull

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