2-(METHYLTHIO)BENZOIC ACID(3724-10-5) IR2
Molecular FormulaC8H8O2S
Molecular Weight168.21
InChIInChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC=C1SC
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![](https://www.chemicalbook.com/Spectrum/3724-10-5_MS.gif)
Mass
MS-IW-2685
o-(methylthio)benzoic acid
C8H8O2S (Mass of molecular ion: 168)
Source Temperature: 220 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
17.0 1.3
18.0 6.5
27.0 1.5
37.0 1.5
38.0 2.7
39.0 11.0
44.0 2.2
45.0 28.2
46.0 3.7
47.0 4.2
49.0 1.1
50.0 10.6
51.0 12.3
52.0 3.4
53.0 5.1
57.0 1.0
58.0 2.9
61.0 2.4
62.0 2.6
63.0 7.5
64.0 1.9
65.0 9.4
66.0 1.0
69.0 13.4
70.0 1.5
71.0 1.7
73.0 1.1
74.0 4.9
75.0 6.0
76.0 6.6
77.0 21.6
78.0 25.3
79.0 10.4
81.0 2.6
82.0 5.1
84.0 1.6
90.0 1.2
91.0 5.5
92.0 1.6
93.0 1.3
96.0 1.2
97.0 8.0
104.0 3.8
105.0 20.0
106.0 1.8
107.0 1.7
108.0 12.1
109.0 10.0
110.0 1.3
121.0 39.3
122.0 34.9
123.0 8.3
124.0 4.0
125.0 2.3
135.0 21.9
136.0 4.3
137.0 4.0
149.0 3.3
150.0 14.1
151.0 13.1
152.0 2.7
153.0 37.4
154.0 3.3
155.0 2.0
168.0 100.0
169.0 9.6
170.0 5.1