玫紅酸(603-45-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:玫紅酸

CAS:603-45-2

分子式:C19H14O3

分子量: 290.31

InChI:InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H

InChIKey: FYEHYMARPSSOBO-UHFFFAOYSA-N

Smiles:C1(=O)C=C/C(=C(\C2=CC=C(O)C=C2)/C2=CC=C(O)C=C2)/C=C1

Mass

MS-NW-6467          
aurin
C19H14O3            (Mass of molecular ion:    290)

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

      17.0       6.3
      18.0      33.5
      26.0       1.2
      27.0       3.2
      28.0       8.0
      29.0       1.3
      31.0       1.0
      32.0       1.8
      37.0       2.4
      38.0       4.0
      39.0      15.2
      40.0       9.4
      41.0       1.7
      43.0       1.1
      44.0       6.9
      47.0       3.6
      48.0      15.1
      50.0       3.2
      51.0       4.0
      52.0       1.0
      53.0       2.3
      55.0       7.7
      57.0       1.3
      61.0       1.3
      62.0       2.0
      63.0       3.2
      64.0      36.3
      65.0      16.5
      66.0      21.2
      67.0       2.0
      68.0       1.2
      74.0       1.5
      77.0       1.5
      79.0       1.0
      84.0       1.0
      93.0       1.7
      94.0     100.0
      95.0       7.5
     170.0       1.1
     195.0       1.3
     197.0       1.2
     198.0       1.4
     199.0       1.2
     261.0       1.8
     289.0       1.0
     290.0       8.0
     291.0       1.8
     292.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₁₄ O₃	0.038 g : 0.5 ml DMSO-d₆
aurin

    Assign.     Shift(ppm)

      A             7.452
      B             7.135
      C             6.952
      D             6.652

     Hz     ppm     Int.

   2983.55   7.466    346
   2974.55   7.443    398
   2855.83   7.146    420
   2846.98   7.124    369
   2783.20   6.965    863
   2781.22   6.960    324
   2774.51   6.943    997
   2662.66   6.663   1000
   2660.68   6.658    347
   2655.79   6.646    386
   2653.81   6.641    874

in DMSO-d6