2,2',4,4'-Tetrahydroxybenzophenone(131-55-5) IR1

Product Name2,2',4,4'-Tetrahydroxybenzophenone

CAS 131-55-5

Molecular FormulaC13H10O5

Molecular Weight246.22

InChIInChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H

InChIKey WXNRYSGJLQFHBR-UHFFFAOYSA-N

SmilesC(C1=CC=C(O)C=C1O)(C1=CC=C(O)C=C1O)=O

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Mass

MS-NW-0287          
2,2',4,4'-tetrahydroxybenzophenone
C13H10O5            (Mass of molecular ion:    246)

   Source Temperature: 200 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      17.0       2.1
      18.0      10.6
      27.0       2.2
      28.0       1.2
      39.0       2.6
      50.0       1.0
      51.0       2.9
      52.0       2.0
      53.0       3.9
      55.0       2.0
      63.0       2.4
      65.0       1.0
      69.0       7.2
      77.0       1.0
      79.0       1.1
      80.0       1.5
      81.0       8.0
      95.0       1.0
     100.0       1.5
     107.0       1.4
     108.0       5.3
     109.0       6.0
     110.0      11.1
     115.0       1.3
     136.0       8.3
     137.0     100.0
     138.0       7.9
     147.0       1.0
     175.0       1.1
     200.0       1.1
     202.0       1.4
     217.0       1.9
     228.0       2.9
     229.0      27.6
     230.0       4.1
     245.0       8.2
     246.0      48.1
     247.0       7.1

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₃ H₁₀ O₅	0.042 g : 0.5 ml DMSO-d₆
2,2',4,4'-tetrahydroxybenzophenone

    Assign.     Shift(ppm)

      A             7.22
      B             6.36
      C             6.35

     Hz     ppm     Int.

   1008.25  11.258     94
    924.32  10.321     42
    651.56   7.276    665
    649.73   7.255     67
    647.68   7.232    142
    646.22   7.216    110
    644.97   7.202     48
    642.41   7.173    834
    574.29   6.413    242
    572.02   6.388    841
    570.48   6.370   1000
    568.36   6.347    809
    565.14   6.311    579
    562.87   6.285    254
    561.25   6.267     39

in DMSO-d6