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603-45-2

玫红酸(603-45-2)红外图谱(IR1)

产品名称:玫红酸

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

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    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

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

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KBr disc

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nujol mull

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