1143-72-2

2,3,4-三羟基二苯甲酮(1143-72-2)核磁图(¹³CNMR)

产品名称:2,3,4-三羟基二苯甲酮

CAS:1143-72-2

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

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

¹H NMR	89.56 MHz
C₁₃ H₁₀ O₄	0.038 g : 0.5 ml DMSO-d₆
2,3,4-trihydroxybenzophenone

    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