39515-51-0

間苯氧基苯甲醛(39515-51-0)紅外圖譜(IR1)

產(chǎn)品名稱:間苯氧基苯甲醛

CAS:39515-51-0

分子式:C13H10O2

分子量: 198.22

InChI:InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H

InChIKey: MRLGCTNJRREZHZ-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1

Mass

MS-NW-5680          
m-phenoxybenzaldehyde
C13H10O2            (Mass of molecular ion:    198)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       3.1
      28.0       1.1
      29.0       1.9
      37.0       1.1
      38.0       3.1
      39.0      10.8
      50.0       8.3
      51.0      26.6
      52.0       1.8
      55.0       1.2
      57.5       1.2
      62.0       1.9
      63.0       6.4
      64.0       3.9
      65.0       6.0
      66.0       1.3
      70.5       1.0
      74.0       2.9
      75.0       2.7
      76.0       5.1
      77.0      27.3
      78.0       2.2
      89.0       1.3
      91.0       1.2
      92.0       1.9
      94.0       3.8
      98.0       1.0
      98.5       1.2
     105.0       1.4
     115.0      12.5
     116.0       1.6
     139.0       3.2
     140.0       1.2
     141.0      33.4
     142.0       8.1
     143.0       1.1
     152.0       1.2
     153.0       1.7
     168.0       2.6
     169.0      34.0
     170.0       7.5
     180.0       3.1
     181.0      15.6
     182.0       2.3
     197.0      32.6
     198.0     100.0
     199.0      15.3
     200.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
m-phenoxybenzaldehyde

    Assign.     Shift(ppm)

      A             9.913
      B             7.571
      C             7.459
      D             7.448
      E             7.346
      F             7.257
      G             7.142
      J             7.022

     Hz     ppm     Int.

   3961.94   9.914   1000
   3031.62   7.586    166
   3030.24   7.583    269
   3029.17   7.580    209
   3023.99   7.567    231
   3022.77   7.564    369
   3021.55   7.561    281
   2989.20   7.480    274
   2981.26   7.460    449
   2978.82   7.454    319
   2977.29   7.450    338
   2976.53   7.448    383
   2974.70   7.444    353
   2973.63   7.441    322
   2946.93   7.374     58
   2944.49   7.368    327
   2942.50   7.363    156
   2939.61   7.356     84
   2937.16   7.350    516
   2936.10   7.347    522
   2930.60   7.333    186
   2928.62   7.328    465
   2926.18   7.322     82
   2906.04   7.272    215
   2904.97   7.269    251
   2903.44   7.265    224
   2902.37   7.263    233
   2897.95   7.252    184
   2896.73   7.249    203
   2895.36   7.245    196
   2894.29   7.243    268
   2862.40   7.163    115
   2861.33   7.160    233
   2860.26   7.157    166
   2854.00   7.142    359
   2847.60   7.126     89
   2846.53   7.123    171
   2845.46   7.120    117
   2812.35   7.038    119
   2810.97   7.034    494
   2809.91   7.031    612
   2807.77   7.026    206
   2804.26   7.017    172
   2803.34   7.015    296
   2802.28   7.012    501
   2801.21   7.010    499
   2798.61   7.003     85

in CDCl3