山奈酚(520-18-3)紅外圖譜(IR2)

產(chǎn)品名稱:山奈酚

CAS:520-18-3

分子式:C15H10O6

分子量: 286.24

InChI:InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H

InChIKey: IYRMWMYZSQPJKC-UHFFFAOYSA-N

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

¹HNMR

IR1

IR2

Mass

MS-IW-7978          
3,4',5,7-tetrahydroxyflavone
C15H10O6 (H2O)      (Mass of molecular ion:    286)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      18.0       5.5
      28.0       1.7
      39.0       1.4
      51.0       1.4
      65.0       2.4
      67.0       1.0
      69.0       3.7
      77.0       1.4
      78.0       1.3
      92.0       1.3
      93.0       3.2
      94.0       1.0
     105.0       1.6
     106.0       1.0
     108.0       1.1
     120.0       2.5
     121.0       9.8
     123.0       1.1
     129.0       3.8
     134.0       2.9
     136.0       2.5
     137.0       1.9
     143.0       6.1
     143.5       1.0
     153.0       4.5
     184.0       1.4
     212.0       1.4
     213.0       3.7
     229.0       5.6
     230.0       1.1
     241.0       1.2
     257.0       5.8
     258.0       7.3
     259.0       1.2
     269.0       1.4
     270.0       2.0
     285.0      31.1
     286.0     100.0
     287.0      17.1
     288.0       2.6
     302.0       1.4
     316.0       1.3

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₅ H₁₀ O₆	0.037 g : 0.5 ml DMSO-d₆
3,4',5,7-tetrahydroxyflavone

    Assign.     Shift(ppm)

      A            12.5
      B             8.062
      C             6.952
      D             6.459
      E             6.217

     Hz     ppm     Int.

   1118.70  12.492    103
    729.82   8.149     96
    726.92   8.117    868
    724.87   8.094    270
    722.99   8.073     85
    722.56   8.068     81
    719.91   8.039    274
    717.94   8.017   1000
    715.55   7.990    128
    715.04   7.984    136
    629.59   7.030    115
    626.77   6.999    999
    624.80   6.977    292
    619.85   6.922    245
    617.80   6.899    827
    615.75   6.876    116
    614.98   6.867    115
    579.43   6.470    770
    577.38   6.447    931
    557.56   6.226    967
    555.51   6.203    833

KBr disc