2',6'-Dihydroxyacetophenone(699-83-2) IR2
Product Name2',6'-Dihydroxyacetophenone
CAS699-83-2
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
InChIKey YPTJKHVBDCRKNF-UHFFFAOYSA-N
SmilesC(=O)(C1=C(O)C=CC=C1O)C
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MassMS-NW-6522 2',6'-dihydroxyacetophenone C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.8 18.0 1.5 27.0 3.8 28.0 1.6 29.0 1.4 37.0 1.1 38.0 2.4 39.0 6.8 41.0 1.1 42.0 1.1 43.0 12.0 50.0 1.9 51.0 4.4 52.0 3.7 53.0 4.7 54.0 1.2 55.0 4.4 62.0 1.9 63.0 3.1 66.0 1.0 68.5 2.8 69.0 2.4 77.0 2.6 78.0 3.1 79.0 1.0 80.0 1.3 81.0 12.8 82.0 1.2 91.0 1.3 105.0 1.9 106.0 1.4 107.0 1.6 108.0 2.4 109.0 2.1 110.0 1.2 123.0 1.7 134.0 1.6 137.0 100.0 138.0 8.3 139.0 1.0 152.0 52.1 153.0 4.9
400 MHz in DMSO-d6
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 O3 0.038 g : 0.5 ml DMSO-d6 2',6'-dihydroxyacetophenone 
Assign. Shift(ppm)
A 11.8 B 7.262 C 6.392 D 2.655
Hz ppm Int.4729.72 11.835 613 2910.70 7.284 91 2902.64 7.263 175 2894.40 7.243 98 2558.65 6.403 387 2550.41 6.382 370 1061.45 2.656 1000
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1H NMR 89.56 MHz C8 H8 O3 0.043 g : 0.5 ml CDCl3 2',6'-dihydroxyacetophenone Assign. Shift(ppm)
A 9.63 B 7.24 C 6.41 D 2.752
Hz ppm Int.867.81 9.690 28 867.50 9.687 32 862.13 9.627 183 858.25 9.583 33 656.81 7.334 68 651.31 7.273 27 649.00 7.247 105 648.19 7.238 98 640.44 7.151 101 577.31 6.447 311 575.31 6.424 37 572.25 6.390 27 569.19 6.356 229 566.88 6.330 26 249.56 2.787 77 246.56 2.754 1000 243.44 2.719 42
in CDCl3
in DMSO-d6
KBr disc
nujol mull
