黃烷酮(487-26-3)Raman光譜

產(chǎn)品名稱:黃烷酮

CAS:487-26-3

分子式:C15H12O2

分子量: 224.25

InChI:InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2

InChIKey: ZONYXWQDUYMKFB-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)OC2=CC=CC=C2C(=O)C1

Mass

MS-NW-9381          
flavanone
C15H12O2            (Mass of molecular ion:    224)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.5
      27.0       1.3
      28.0       1.1
      38.0       1.9
      39.0       5.7
      50.0       3.3
      51.0       6.8
      52.0       1.9
      53.0       1.4
      62.0       1.5
      63.0       9.1
      64.0      10.7
      65.0       6.1
      74.0       1.2
      75.0       1.5
      76.0       3.1
      77.0      13.4
      78.0      10.8
      89.0       2.3
      90.0       1.5
      91.0       6.3
      92.0      34.2
      93.0       5.2
     102.0       2.9
     103.0      16.2
     104.0      38.7
     105.0       4.7
     118.0       1.3
     120.0      92.7
     121.0      17.5
     122.0       1.4
     131.0       3.8
     146.0       5.7
     147.0      47.4
     148.0       4.9
     152.0       1.3
     165.0       1.5
     178.0       1.4
     181.0       1.3
     195.0       1.7
     196.0       1.1
     205.0       1.2
     206.0       1.1
     207.0       7.6
     208.0       1.3
     223.0      53.3
     224.0     100.0
     225.0      16.0
     226.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₂ O₂	0.038 g : 0.5 ml CDCl₃
flavanone

    Assign.     Shift(ppm)

      A             7.932
      B          7.50 to 7.47
      C             7.432
      D             7.385
      E             7.05
      F             5.470
      G             3.073
      J             2.886

     Hz     ppm     Int.

   3175.42   7.946    481
   3173.58   7.941    471
   3169.68   7.932     74
   3167.24   7.926    510
   3165.65   7.922    470
   3165.28   7.921    463
   3005.74   7.521    286
   3004.03   7.517    293
   3000.73   7.509     40
   2998.54   7.503    362
   2997.56   7.501    424
   2996.83   7.499    463
   2995.61   7.496    647
   2993.90   7.492    482
   2992.19   7.488    191
   2991.70   7.486    188
   2990.23   7.483    444
   2988.53   7.478    742
   2987.67   7.476    765
   2987.06   7.475    868
   2986.33   7.473    828
   2984.01   7.467    160
   2983.52   7.466    146
   2980.71   7.459     46
   2978.39   7.453    365
   2977.05   7.450    504
   2974.98   7.444    178
   2972.17   7.437    219
   2970.09   7.432   1000
   2968.26   7.428    366
   2964.11   7.417    266
   2962.52   7.413    448
   2960.45   7.408     93
   2957.40   7.400    258
   2955.81   7.396    459
   2954.22   7.393    244
   2951.54   7.386    148
   2948.73   7.379    422
   2945.68   7.371     92
   2942.99   7.364     77
   2941.65   7.361    122
   2940.19   7.357     62
   2824.71   7.068    205
   2823.61   7.066    533
   2822.39   7.063    703
   2821.17   7.060    540
   2817.38   7.050    320
   2816.53   7.048    645
   2815.55   7.046    371
   2814.09   7.042    541
   2812.74   7.039    500
   2809.45   7.030    366
   2808.35   7.028    264
   2194.46   5.491    289
   2191.53   5.484    309
   2181.15   5.458    307
   2178.22   5.451    307
   1245.00   3.116    453
   1231.69   3.082    437
   1228.15   3.074    661
   1214.84   3.040    667
   1161.74   2.907    629
   1158.81   2.900    654
   1144.90   2.865    452
   1141.97   2.858    435

in CDCl3