對甲苯磺酸(1-丁炔-3-基)酯(53487-52-8)核磁圖(1HNMR)
分子式:C11H12O3S
分子量: 224.28
InChI:InChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h1,5-8,10H,2-3H3
InChIKey: XWRDBUBKBUYLQI-UHFFFAOYSA-N
Smiles:CC(OS(C1=CC=C(C)C=C1)(=O)=O)C#C
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Mass
MS-NW-9425
1-methyl-2-propynyl p-toluenesulfonate
C11H12O3S (Mass of molecular ion: 224)
Source Temperature: 260 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
18.0 1.9
26.0 2.3
27.0 16.9
28.0 2.4
37.0 1.0
38.0 2.2
39.0 11.3
40.0 1.1
41.0 6.9
43.0 2.9
49.0 1.7
50.0 9.4
51.0 14.8
52.0 17.1
53.0 35.8
54.0 1.7
62.0 1.5
63.0 6.2
64.0 2.0
65.0 27.3
66.0 1.7
69.0 9.9
77.0 6.0
78.0 1.3
79.0 7.1
80.0 2.1
89.0 6.7
90.0 5.8
91.0 100.0
92.0 13.3
93.0 1.0
107.0 17.6
108.0 15.7
109.0 1.3
115.0 1.2
117.0 2.0
128.0 1.0
129.0 4.5
132.0 2.4
134.0 1.3
139.0 35.0
140.0 3.3
141.0 2.0
144.0 23.0
145.0 4.1
155.0 18.4
156.0 2.0
157.0 1.4
172.0 33.6
173.0 3.1
174.0 1.8
224.0 1.2