3,4-DIMETHYLTHIOPHENOL(18800-53-8) 1H NMR
Molecular FormulaC8H10S
Molecular Weight138.23
InChIInChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKey IDKCKPBAFOIONK-UHFFFAOYSA-N
SmilesC1(S)=CC=C(C)C(C)=C1
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Mass
MS-IW-1194
o-xylene-4-thiol
C8H10S (Mass of molecular ion: 138)
Source Temperature: 240 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
27.0 2.7
38.0 1.0
39.0 6.6
41.0 1.5
45.0 12.4
50.0 2.4
51.0 6.5
52.0 1.8
53.0 3.9
58.0 1.0
59.0 2.9
61.0 1.0
62.0 1.4
63.0 3.8
65.0 4.4
67.0 2.6
68.0 2.2
69.0 4.6
70.0 1.0
71.0 1.7
74.0 1.1
75.0 1.0
77.0 15.7
78.0 6.0
79.0 13.8
80.0 1.1
82.0 1.0
89.0 1.4
91.0 10.4
92.0 1.5
93.0 4.1
94.0 1.0
97.0 4.2
98.0 1.5
102.0 1.4
103.0 9.3
104.0 4.6
105.0 100.0
106.0 9.3
109.0 1.1
121.0 5.1
122.0 2.5
123.0 16.4
124.0 1.5
134.0 1.4
135.0 2.7
137.0 20.3
138.0 96.8
139.0 10.3
140.0 4.7
242.0 3.5