2,3,4-Trihydroxybenzophenone(1143-72-2) MS
Product Name2,3,4-Trihydroxybenzophenone
CAS1143-72-2
Molecular FormulaC13H10O4
Molecular Weight230.22
InChIInChI=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
SmilesC(C1=CC=CC=C1)(C1=CC=C(O)C(O)=C1O)=O
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MassMS-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 
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
KBr disc
nujol mull
