槲皮苷(522-12-3)紅外圖譜(IR2)

產(chǎn)品名稱(chēng):槲皮苷

分子式:C21H20O11

分子量: 448.38

InChI:InChI=1/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/s3

InChIKey: OXGUCUVFOIWWQJ-MTGNCDLCNA-N

Smiles:O([C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1C(C2=C(C=C(O)C=C2OC=1C1C=CC(O)=C(O)C=1)O)=O |&1:1,3,5,7,9,r|

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₁ H₂₀ O₁₁	0.022 g : 0.5 ml DMSO-d₆
quercitrin

    Assign.     Shift(ppm)

      A     *1     12.7
      B     *1     10.9
      C     *1      9.7
      D     *1      9.4
      E             7.317
      F             7.271
      G             6.885
      J             6.410
      K             6.225
      L             5.272
      M     *2      4.99
      N     *2      4.76
      P     *2      4.65
      Q             3.994
      R             3.520
      S             3.22
      T             3.16
      U             0.830

     Hz     ppm     Int.

   5066.57  12.678   1000
   4361.38  10.914     50
   3896.68   9.751     58
   3749.97   9.384     95
   2925.72   7.321    406
   2923.52   7.316    502
   2911.61   7.286    245
   2909.42   7.280    188
   2903.19   7.265    265
   2900.99   7.259    231
   2755.74   6.896    410
   2750.98   6.884     35
   2747.50   6.875    392
   2565.98   6.421     42
   2562.87   6.413    471
   2560.85   6.408    491
   2488.68   6.228    546
   2486.67   6.223    478
   2107.70   5.274    418
   2106.41   5.271    403
   2000.73   5.007     34
   2000.36   5.006     36
   1999.63   5.004     39
   1998.53   5.001     47
   1993.95   4.990    182
   1989.74   4.979    183
   1911.16   4.783     32
   1910.24   4.780     33
   1904.38   4.766    172
   1899.99   4.755    171
   1866.65   4.671     32
   1865.73   4.669     33
   1859.87   4.654    137
   1857.13   4.647     95
   1854.19   4.640    140
   1596.30   3.995    207
   1416.98   3.546     64
   1416.61   3.545     63
   1412.40   3.535     94
   1412.03   3.534     93
   1408.55   3.525    118
   1404.89   3.516    103
   1403.42   3.512    104
   1399.94   3.503     85
   1297.73   3.248     81
   1293.70   3.238     57
   1291.87   3.233     87
   1288.39   3.224    153
   1282.35   3.209    162
   1274.47   3.189    110
   1270.63   3.180     97
   1268.06   3.173     55
   1265.31   3.167    115
   1263.30   3.162     90
   1261.28   3.156    119
   1255.97   3.143     51
   1253.96   3.138     41
   1251.76   3.133     53
    334.83   0.838    812
    328.97   0.824    804
    323.11   0.809     64
    322.01   0.806     54
    321.64   0.805     52
    321.27   0.804     50
    320.36   0.802     42
    319.99   0.801     41
    319.26   0.799     34

in DMSO-d6