4397-53-9

4-芐氧基苯甲醛(4397-53-9)質(zhì)譜(MS)

產(chǎn)品名稱:4-芐氧基苯甲醛

CAS:4397-53-9

分子式:C14H12O2

分子量: 212.24

InChI:InChI=1S/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2

InChIKey: ZVTWZSXLLMNMQC-UHFFFAOYSA-N

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

Mass

MS-NW-9452          
p-(benzyloxy)benzaldehyde
C14H12O2            (Mass of molecular ion:    212)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      39.0       2.8
      51.0       1.5
      63.0       1.5
      65.0       9.5
      89.0       1.4
      91.0     100.0
      92.0       8.2
     212.0      10.7
     213.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₂ O₂	0.036 g : 0.5 ml CDCl₃
p-(benzyloxy)benzaldehyde

    Assign.     Shift(ppm)

      A             9.876
      B             7.830
      C             7.42
      D             7.39
      E             7.35
      F             7.070
      G             5.138
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

   3947.14   9.877    689
   3136.60   7.849     73
   3134.00   7.842    630
   3132.02   7.837    201
   3127.14   7.825    195
   3125.15   7.820    696
   3122.56   7.814     90
   2974.85   7.444     91
   2972.87   7.439    139
   2971.19   7.435     66
   2970.58   7.433     69
   2966.46   7.423    441
   2964.78   7.419    617
   2963.87   7.417    541
   2961.58   7.411    112
   2958.83   7.404    143
   2957.92   7.402    318
   2957.00   7.399    516
   2955.17   7.395    161
   2952.58   7.388     39
   2951.20   7.385    116
   2949.98   7.382    153
   2949.07   7.380    179
   2947.69   7.376     49
   2944.49   7.368    116
   2942.66   7.364    164
   2940.52   7.358     82
   2939.00   7.354     76
   2935.79   7.346    143
   2935.33   7.345    135
   2932.59   7.338     42
   2930.76   7.334     39
   2929.23   7.330     48
   2927.25   7.325     30
   2832.79   7.089     60
   2830.05   7.082    522
   2828.37   7.078    167
   2823.33   7.065    151
   2821.50   7.060    498
   2818.76   7.054     65
   2053.38   5.138   1000

in CDCl3