4-Acetylbenzoic acid(586-89-0) 1H NMR
Molecular FormulaC9H8O3
Molecular Weight164.16
InChIInChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey QBHDSQZASIBAAI-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(C(C)=O)C=C1
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![](https://www.chemicalbook.com/Spectrum/586-89-0_MS.gif)
Mass
MS-NW-8181
p-acetylbenzoic acid
C9H8O3 (Mass of molecular ion: 164)
Source Temperature: 180 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 1.1
18.0 2.9
28.0 1.2
39.0 4.4
43.0 13.5
50.0 4.9
51.0 4.4
52.0 1.2
53.0 1.0
63.0 1.1
65.0 24.2
66.0 1.8
74.0 2.2
75.0 3.9
76.0 4.8
77.0 2.6
91.0 2.0
93.0 3.7
103.0 2.0
104.0 2.9
105.0 1.3
119.0 1.2
121.0 28.1
122.0 2.4
147.0 2.6
149.0 100.0
150.0 8.9
151.0 1.0
164.0 27.8
165.0 2.8