525-82-6

黄酮(525-82-6)红外图谱(IR2)

产品名称:黄酮

CAS:525-82-6

分子式:C15H10O2

分子量: 222.24

InChI:InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

InChIKey: VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)OC2=CC=CC=C2C(=O)C=1

¹HNMR

IR1

IR2

Mass

MS-NW-0493          
flavone
C15H10O2            (Mass of molecular ion:    222)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       1.6
      38.0       2.7
      39.0       4.2
      50.0       5.9
      51.0       6.7
      52.0       2.4
      53.0       1.4
      62.0       2.3
      63.0      12.1
      64.0      13.7
      65.0       1.4
      69.0       1.3
      69.5       1.4
      70.0       1.0
      74.0       3.4
      75.0       3.8
      76.0       6.7
      77.0       4.6
      81.5       1.2
      82.0       8.0
      82.5       7.0
      83.0       1.3
      89.0       1.3
      91.0       1.0
      92.0      36.6
      93.0       2.7
      97.0      15.8
      97.5       2.3
     101.0       1.3
     102.0      11.5
     103.0       1.0
     105.0       1.8
     120.0      76.9
     121.0       6.3
     129.0       2.4
     139.0       1.9
     163.0       1.3
     164.0       1.2
     165.0       8.0
     166.0       1.4
     194.0      33.7
     195.0       5.6
     221.0      23.7
     222.0     100.0
     223.0      17.6
     224.0       1.5

parameter in CDCl3

¹H NMR	300 MHz
C₁₅ H₁₀ O₂	in CDCl₃
flavone

    Parameter     ppm  Hz

      D(A)         8.235
      D(B)         7.405
      D(C)         7.680
      D(D)         7.554
       J(A,B)          8.15
       J(A,C)          1.71
       J(A,D)          0.56
       J(B,C)          7.22
       J(B,D)          0.91
       J(C,D)          8.25
     
      D(E)         6.82
     
      D(F)         7.914
      D(G)         7.503
      D(H)         7.539
       J(F,F')         1.84
       J(F,G)          7.23
       J(F,G')         0.56
       J(F,H)          2.36
       J(F',G)         0.56
       J(F',G')        7.23
       J(F',H)         2.36
       J(G,G')         0.04
       J(G,H)          7.35
       J(G',H)         7.35
     
     JOSEPH-NATHAN,P. ET AL. J.MAGN.RESON. 16, 447 (1974)

     Hz     ppm     Int.

   2475.72   8.252    168
   2475.26   8.251    175
   2474.02   8.247    179
   2473.58   8.245    174
   2467.58   8.225    180
   2467.12   8.224    187
   2465.90   8.220    190
   2465.44   8.218    183
   2380.98   7.937     52
   2379.37   7.931    282
   2376.88   7.923    281
   2375.38   7.918    123
   2374.03   7.913    176
   2372.11   7.907    398
   2370.18   7.901    177
   2369.28   7.898    340
   2367.16   7.891     44
   2364.70   7.882     12
   2313.14   7.710     97
   2311.44   7.705     97
   2306.00   7.687    130
   2304.88   7.683    185
   2303.20   7.677    157
   2297.76   7.659    178
   2296.06   7.654    174
   2273.21   7.577     25
   2270.60   7.569    253
   2269.73   7.566    304
   2264.01   7.547    132
   2263.33   7.544    145
   2261.77   7.539    212
   2260.92   7.536    184
   2259.81   7.533    233
   2257.19   7.524    610
   2256.50   7.522    472
   2255.06   7.517    265
   2254.42   7.515    212
   2252.28   7.508    120
   2250.83   7.503    217
   2249.66   7.499    436
   2247.92   7.493    118
   2244.13   7.480     95
   2242.93   7.476     59
   2241.79   7.473     47
   2240.86   7.470     54
   2229.38   7.431    164
   2228.43   7.428    157
   2222.24   7.407    158
   2221.27   7.404    282
   2220.31   7.401    165
   2214.13   7.380    128
   2213.16   7.377    124
   2045.99   6.820   1000

KBr disc