3-甲基噻吩-2-羧酸(23806-24-8)紅外圖譜(IR2)
InChI:InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey: IFLKEBSJTZGCJG-UHFFFAOYSA-N
Smiles:C1(C(O)=O)SC=CC=1C
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Mass
MS-NW-7819
3-methyl-2-thenoic acid
C6H6O2S (Mass of molecular ion: 142)
Source Temperature: 150 °C
Sample Temperature: 120 °C
Direct, 75 eV
27.0 4.6
37.0 1.4
38.0 2.1
39.0 5.3
44.0 1.0
45.0 21.7
47.0 1.6
48.0 2.2
50.0 3.1
51.0 4.6
52.0 1.7
53.0 17.5
57.0 2.1
58.0 2.7
62.0 5.0
63.0 1.6
69.0 9.4
70.0 7.1
71.0 3.2
81.0 1.3
82.0 1.4
85.0 3.0
93.0 1.2
95.0 2.7
96.0 23.0
97.0 66.5
98.0 5.7
99.0 3.2
113.0 1.0
124.0 33.4
125.0 43.2
126.0 4.8
127.0 2.3
141.0 10.7
142.0 100.0
143.0 8.5
144.0 5.2