2',5'-Dihydroxyacetophenone(490-78-8) MS
Product Name2',5'-Dihydroxyacetophenone
CAS490-78-8
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChIKey WLDWSGZHNBANIO-UHFFFAOYSA-N
SmilesC(=O)(C1=CC(O)=CC=C1O)C
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MassMS-NW-6482 2',5'-dihydroxyacetophenone C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.6 17.0 1.0 18.0 4.5 26.0 2.7 27.0 5.8 28.0 2.5 29.0 2.1 38.0 1.4 39.0 4.5 41.0 1.3 42.0 1.6 43.0 21.2 50.0 2.5 51.0 5.1 52.0 5.6 53.0 7.8 54.0 3.3 55.0 4.3 62.0 1.4 63.0 2.4 68.5 1.4 69.0 5.6 76.0 1.0 77.0 2.4 78.0 2.2 79.0 1.4 80.0 1.1 81.0 13.7 82.0 1.9 105.0 1.6 106.0 1.2 108.0 3.1 109.0 17.8 110.0 2.9 133.0 1.1 134.0 5.4 135.0 1.0 136.0 1.1 137.0 100.0 138.0 7.9 150.0 1.6 151.0 1.4 152.0 78.2 153.0 7.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 O3 0.038 g : 0.5 ml DMSO-d6 2',5'-dihydroxyacetophenone 
Assign. Shift(ppm)
A *1 11.4 B *1 9.23 C 7.207 D 7.020 E 6.823 F 2.594
Hz ppm Int.4550.40 11.386 160 3690.80 9.236 157 2881.94 7.212 148 2879.01 7.204 157 2811.97 7.037 93 2809.04 7.029 82 2803.18 7.015 112 2800.07 7.007 102 2729.36 6.830 177 2720.57 6.808 146 1036.91 2.595 1000 1033.79 2.587 20
in DMSO-d6
KBr disc
nujol mull
