4'-Hydroxyacetophenone(99-93-4) MS
Product Name4'-Hydroxyacetophenone
CAS99-93-4
Molecular FormulaC8H8O2
Molecular Weight136.15
InChIInChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKey TXFPEBPIARQUIG-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(O)C=C1)C
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MassMS-NW-8737 4'-hydroxyacetophenone C8H8O2 (Mass of molecular ion: 136)
Source Temperature: 290 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 4.2 27.0 1.0 38.0 2.1 39.0 11.8 43.0 7.3 50.0 1.8 51.0 2.2 53.0 2.8 62.0 1.8 63.0 4.2 64.0 2.4 65.0 22.3 66.0 2.2 77.0 2.4 92.0 1.7 93.0 33.2 94.0 3.0 107.0 1.1 121.0 100.0 122.0 7.9 136.0 33.4 137.0 3.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 O2 0.040 g : 0.5 ml CDCl3 4'-hydroxyacetophenone 
Assign. Shift(ppm)
A 8.69 B 7.925 C 6.985 D 2.601
Hz ppm Int.3472.17 8.689 33 3174.80 7.944 42 3172.00 7.937 277 3169.92 7.932 88 3165.28 7.921 96 3163.21 7.915 284 3160.40 7.908 33 2798.71 7.003 45 2795.90 6.996 296 2793.82 6.991 89 2789.06 6.979 94 2786.99 6.974 276 2784.18 6.967 31 1039.79 2.602 1000
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1H NMR 89.56 MHz C8 H8 O2 0.032 g : 0.5 ml CDCl3 4'-hydroxyacetophenone Assign. Shift(ppm)
A 8.5 B 7.915 C 6.974 D 2.593
Hz ppm Int.758.88 8.474 25 716.44 8.000 32 713.63 7.969 194 711.56 7.946 64 709.06 7.918 24 706.81 7.893 81 704.69 7.869 227 702.00 7.839 31 631.38 7.050 38 628.56 7.019 238 626.44 6.995 70 621.75 6.943 69 619.63 6.919 186 616.94 6.889 24 232.25 2.594 1000
in CDCl3
KBr disc
nujol mull
