4-BENZYLOXYBENZYL ALCOHOL(836-43-1) IR1

Product Name4-BENZYLOXYBENZYL ALCOHOL

CAS 836-43-1

Molecular FormulaC14H14O2

Molecular Weight214.26

InChIInChI=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

SmilesC1(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

¹H NMR	399.65 MHz
C₁₄ H₁₄ O₂	0.031 g : 0.5 ml CDCl₃
p-(benzyloxy)benzyl alcohol

    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