α-硫辛酸(1077-28-7)核磁圖(13CNMR)
分子式:C8H14O2S2
分子量: 206.33
InChI:InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKey: AGBQKNBQESQNJD-UHFFFAOYSA-N
Smiles:S1CCC(CCCCC(O)=O)S1
-
Mass
MS-NW-2277
DL-1,2-dithiolane-3-valeric acid
C8H14O2S2 (Mass of molecular ion: 206)
Source Temperature: 170 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 1.2
17.0 2.8
18.0 12.8
26.0 2.6
27.0 23.5
28.0 4.9
29.0 15.9
31.0 2.0
32.0 5.0
33.0 4.5
34.0 12.6
36.0 2.4
38.0 1.7
39.0 23.1
40.0 3.4
41.0 54.7
42.0 4.3
43.0 20.7
44.0 2.4
45.0 27.0
46.0 6.0
47.0 6.7
50.0 1.6
51.0 3.3
52.0 1.8
53.0 12.1
54.0 6.1
55.0 50.8
56.0 3.4
57.0 10.8
58.0 5.0
59.0 9.1
60.0 8.9
61.0 5.9
62.0 1.2
63.0 1.7
64.0 6.9
65.0 5.3
66.0 3.1
67.0 26.6
68.0 6.2
69.0 5.0
70.0 1.0
71.0 7.7
72.0 2.2
73.0 9.2
74.0 1.9
76.0 1.8
77.0 4.9
78.0 2.6
79.0 18.4
80.0 9.2
81.0 100.0
82.0 9.4
83.0 3.5
84.0 1.6
85.0 11.6
86.0 3.6
87.0 12.7
88.0 1.0
89.0 1.2
91.0 3.9
92.0 1.1
93.0 5.5
94.0 2.7
95.0 63.2
96.0 6.7
97.0 6.2
98.0 1.5
99.0 13.2
100.0 2.8
101.0 1.8
103.0 1.6
105.0 19.8
106.0 1.5
107.0 2.1
109.0 1.4
110.0 2.3
111.0 2.2
112.0 2.0
113.0 15.3
114.0 2.0
115.0 1.2
118.0 1.0
119.0 2.9
120.0 1.0
121.0 2.8
122.0 1.7
123.0 62.7
124.0 9.3
125.0 1.2
126.0 1.3
127.0 8.5
128.0 2.7
137.0 1.0
140.0 1.9
141.0 11.5
142.0 1.2
155.0 14.3
156.0 1.7
160.0 2.9
173.0 12.3
174.0 2.1
188.0 2.1
206.0 63.2
207.0 6.8
208.0 6.5