5447-02-9

3,4-二苄氧基苯甲醛(5447-02-9)核磁图(¹³CNMR)

产品名称:3,4-二苄氧基苯甲醛

CAS:5447-02-9

分子式:C21H18O3

分子量: 318.37

InChI:InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2

InChIKey: XDDLXZHBWVFPRG-UHFFFAOYSA-N

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

Mass

MS2014-05108CW      
3,4-bis(benzyloxy)benzaldehyde
C21H18O3            (Mass of molecular ion:    318)

   Source Temperature: 240 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      39.0       4.4
      41.0       1.4
      51.0       3.3
      52.0       1.7
      63.0       2.6
      65.0      12.2
      77.0       1.0
      79.0       1.8
      80.0       1.0
      89.0       2.3
      90.0       1.3
      91.0     100.0
      92.0       7.4
     181.0       4.4
     227.0       9.6
     228.0       1.5
     318.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₁₈ O₃	0.040 g : 0.5 ml CDCl₃
3,4-bis(benzyloxy)benzaldehyde

    Assign.     Shift(ppm)

      A             9.791
      B             7.479
      C          7.45 to 7.31
      D             7.001
      E     *1      5.229
      F     *1      5.190

     Hz     ppm     Int.

   3913.27   9.792   1000
   2989.96   7.482    413
   2987.98   7.477    462
   2985.23   7.470    218
   2983.86   7.467    290
   2976.99   7.449    413
   2976.38   7.448    447
   2975.77   7.446    461
   2973.63   7.441    282
   2967.22   7.425    378
   2966.46   7.423    394
   2965.85   7.422    350
   2959.59   7.406    272
   2957.76   7.401    241
   2952.88   7.389    209
   2951.35   7.385    510
   2949.37   7.380    503
   2947.24   7.375    152
   2944.49   7.368    549
   2942.20   7.362    524
   2940.67   7.359    253
   2938.39   7.353    159
   2936.40   7.348    294
   2934.88   7.344    311
   2932.59   7.338     77
   2930.45   7.333    126
   2929.08   7.330    192
   2927.25   7.325    155
   2925.11   7.320    224
   2923.89   7.317    151
   2921.75   7.311    210
   2917.94   7.302    209
   2915.04   7.294     84
   2913.21   7.290     43
   2911.99   7.287     43
   2910.77   7.284     61
   2909.39   7.280     35
   2802.12   7.012    387
   2793.88   6.991    351
   2090.00   5.230    870
   2074.43   5.191    880

in CDCl3