TRI-N-BUTYLSULFONIUM IODIDE(18146-62-8) 1H NMR
Molecular FormulaC12H27IS
Molecular Weight330.31
InChIInChI=1S/C12H27S.HI/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1
InChIKey HUCQSHDLMUWBPS-UHFFFAOYSA-M
Smiles[S+](CCCC)(CCCC)CCCC.[I-]
-
Mass
MS-IW-7693
tributylsulfonium iodide
C12H27IS (Mass of molecular ion: 330)
Source Temperature: 180 °C
Sample Temperature: 160 °C
Direct, 75 eV
17.0 1.4
18.0 4.9
26.0 2.6
27.0 15.6
28.0 6.1
29.0 47.4
30.0 1.7
35.0 1.1
38.0 1.2
39.0 10.0
40.0 2.3
41.0 56.6
42.0 4.0
43.0 3.6
45.0 4.1
46.0 3.2
47.0 8.5
48.0 2.1
49.0 2.3
50.0 1.3
51.0 1.5
53.0 3.3
54.0 2.4
55.0 23.1
56.0 88.5
57.0 100.0
58.0 5.6
59.0 1.8
60.0 3.9
61.0 84.4
62.0 3.9
63.0 4.4
75.0 5.5
88.0 3.4
89.0 13.6
90.0 35.1
91.0 18.6
92.0 2.9
93.0 1.1
103.0 17.8
104.0 2.3
105.0 1.1
117.0 7.5
127.0 3.5
128.0 1.7
141.0 1.2
145.0 1.0
146.0 66.1
147.0 6.7
148.0 3.7
155.0 4.9
184.0 62.9
185.0 3.2