2,2',4,4'-Tetrahydroxybenzophenone(131-55-5) Raman
Product Name2,2',4,4'-Tetrahydroxybenzophenone
CAS131-55-5
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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MassMS-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
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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
KBr disk
Nujol
