2,4,5-Trimethylbenzoic acid(528-90-5) IR2
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKey QENJZWZWAWWESF-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(C)=C(C)C=C1C
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Mass
MS2014-05043CW
2,4,5-trimethylbenzoic acid
C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 240 °C
Sample Temperature: 25 °C
Direct, 70 eV
18.0 4.1
27.0 7.2
29.0 1.1
38.0 1.9
39.0 17.9
40.0 2.2
41.0 12.3
43.0 2.9
45.0 2.3
50.0 6.7
51.0 19.1
51.5 1.5
52.0 5.9
53.0 7.7
55.0 1.1
57.0 1.7
57.5 4.3
58.0 5.4
59.0 2.6
62.0 3.5
63.0 10.8
64.0 2.4
65.0 14.9
65.5 2.6
66.0 2.9
67.0 1.7
72.5 1.3
73.0 5.2
74.0 3.8
74.5 1.4
75.0 4.0
76.0 2.9
77.0 31.1
78.0 10.7
79.0 10.0
82.0 2.1
86.0 1.1
87.0 1.6
89.0 5.1
90.0 1.8
91.0 51.7
92.0 5.8
93.0 5.5
101.0 1.0
102.0 5.0
103.0 19.9
104.0 8.5
105.0 31.3
106.0 2.9
107.0 1.5
115.0 21.2
116.0 5.3
117.0 28.5
118.0 97.4
119.0 99.0
120.0 12.3
121.0 5.3
131.0 4.4
135.0 1.1
145.0 4.5
146.0 99.5
147.0 38.3
148.0 3.8
149.0 21.4
150.0 2.2
163.0 5.1
164.0 100.0
165.0 13.7
166.0 1.2