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1143-72-2

2,3,4-三羟基二苯甲酮(1143-72-2)Raman光谱

分子式:C13H10O4

分子量: 230.22

InChI:InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H

InChIKey: HTQNYBBTZSBWKL-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)(C1=CC=C(O)C(O)=C1O)=O

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    Mass

    MS-NW-9984          
    2,3,4-trihydroxybenzophenone
    C13H10O4            (Mass of molecular ion:    230)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       5.9
          28.0       1.8
          39.0       2.5
          50.0       1.9
          51.0       8.9
          53.0       2.7
          55.0       1.0
          63.0       1.4
          64.0       1.2
          68.0       1.7
          76.0       1.3
          77.0      23.3
          78.0       3.3
          79.0       5.2
          92.0       2.4
          95.0       1.0
          96.0       1.0
          97.0       1.0
         101.0       1.2
         105.0      15.9
         106.0       3.9
         107.0       3.3
         115.0       2.9
         123.0       1.9
         124.0       4.8
         125.0       3.9
         126.0       1.1
         127.0       2.5
         128.0       1.3
         152.0      54.4
         153.0      56.5
         154.0       4.8
         155.0       3.6
         183.0       1.2
         201.0       1.0
         212.0       1.4
         213.0       2.2
         229.0      50.2
         230.0     100.0
         231.0      14.7
         232.0       1.8
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C13 H10 O4 0.038 g : 0.5 ml DMSO-d6
    2,3,4-trihydroxybenzophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.2 B *1 10.3 C *1 8.8 D 7.62 to 7.58 E 6.932 F 6.459 J(E,F)=8.9HZ

         Hz     ppm     Int.
    

       1094.53  12.222    246
        921.19  10.286     89
        694.63   7.757     30
        694.04   7.750     31
        693.65   7.746     30
        692.29   7.730     34
        689.36   7.698     87
        686.82   7.669    151
        681.35   7.608   1000
        680.08   7.594    949
        677.15   7.561    197
        675.78   7.546    201
        672.75   7.512     77
        670.51   7.487     60
        668.75   7.468     34
        667.97   7.459     42
        626.17   6.992    242
        617.29   6.893    354
        581.93   6.498    347
        573.05   6.399    244
    

in DMSO-d6

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KBr disc

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nujol mull

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